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FR 139317 - ≥98%, high purity , CAS No.142375-60-8, Antagonist of ET A receptor

COA COA
In stock
Item Number
F276147
Grouped product items
SKU Size
Availability
 Price Qty
F276147-10mg
10mg
3
$222.90
F276147-50mg
50mg
3
$915.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Highly selective, potent, competitive ET A receptor antagonist

View related series
Class A GPCR (4138) ETA receptor Antagonist (21)

Basic Description

Synonyms D-Alanine,N-[(hexahydro-1H-azepin-1-yl)carbonyl]-L-leucyl-1-methyl-D-tryptophyl-3-(2-pyridinyl)- | FR139317 | AKOS024456467 | (R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(1-methyl-1H-indol-3-yl)-propionylamino]-3-pyridin-2-
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms Highly selective, potent, competitive ET A receptor antagonist (K i values are 1 nM and 7.3 μM for ET A and ET B , respectively). Inhibits endothelin-1-induced vasoconstriction in vivo.
Storage Temp Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type ANTAGONIST
Mechanism of action Antagonist of ET A receptor
Note Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Amino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct Parent Oligopeptides
Alternative Parents Leucine and derivatives  N-acyl-alpha amino acids  N-carbamoyl-alpha amino acids and derivatives  Alpha amino acid amides  Tryptamines and derivatives  3-alkylindoles  N-alkylindoles  Azepanes  Pyridines and derivatives  N-methylpyrroles  Benzenoids  N-acyl amines  Heteroaromatic compounds  Ureas  Secondary carboxylic acid amides  Azacyclic compounds  Carboxylic acids  Monocarboxylic acids and derivatives  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organonitrogen compounds  Organopnictogen compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Alpha-oligopeptide - Leucine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Azepane - Fatty amide - N-acyl-amine - Fatty acyl - N-methylpyrrole - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Urea - Carbonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors Not available

Associated Targets(Human)

EDNRA Tclin Endothelin-1 receptor (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EDNRA Tclin Endothelin receptor ET-A (5008 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FPR2 Tchem Lipoxin A4 receptor (3472 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADGRF1 Tbio Adhesion G-protein coupled receptor F1 (1591 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cruzipain (33337 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Aplnr Apelin receptor (201 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504756633
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756633
IUPAC Name (2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid
INCHI InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1
InChIKey LIOKMIQQPDDTNO-UPRLRBBYSA-N
Smiles CC(C)CC(C(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)NC(CC3=CC=CC=N3)C(=O)O)NC(=O)N4CCCCCC4
Isomeric SMILES CC(C)C[C@@H](C(=O)N[C@H](CC1=CN(C2=CC=CC=C21)C)C(=O)N[C@H](CC3=CC=CC=N3)C(=O)O)NC(=O)N4CCCCCC4
PubChem CID 107810
Molecular Weight 604.75

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number Certificate Type Date Item
J22111100 Certificate of Analysis Jul 13, 2023 F276147
J22111101 Certificate of Analysis Jul 13, 2023 F276147

Chemical and Physical Properties

Solubility Soluble in ethanol to 100 mM, in DMSO to 100 mM and in 1eq. HCl to 100 mM.
Molecular Weight 604.700 g/mol
XLogP3 3.800
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 604.337 Da
Monoisotopic Mass 604.337 Da
Topological Polar Surface Area 146.000 Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 970.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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