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SGC707 - 10mM in DMSO, high purity , CAS No.1687736-54-4, Allosteric modulator of protein arginine methyltransferase 3

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S422088
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S422088-1ml
1ml
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$227.90

PRMT Inhibitors

Basic Description

Synonyms Tubastatin A BASE | 1-(isoquinolin-6-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)urea
Specifications & Purity Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms SGC707 is a potent, selective and cell-active allosteric inhibitor of protein arginine methyltransferase\u20053 (PRMT3) with IC50 and Kd of 31 nM and 53 nM, respectively.
Storage Temp Store at -80°C
Shipped In
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This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type ALLOSTERIC MODULATOR
Mechanism of action Allosteric modulator of protein arginine methyltransferase 3
Product Description

Information

SGC707 SGC707 is a potent, selective and cell-active allosteric inhibitor of protein arginine methyltransferase 3 ( PRMT3 ) with IC50 and K d of 31 nM and 53 nM, respectively.

Targets

PRMT3 ; PRMT3 31 nM; 53 nM(Kd)

In vitro

In cells, SGC707 binds to PRMT3 and reduces PRMT3-dependent H4R3me2a. SGC707 also stabilizes PRMT3 in both HEK293 and A549 cells with EC50 values of 1.3 μM and 1.6 μM, respectively.

In vivo

In CD-1 male mice, SGC707 (30 mg/kg, i.p.) gives good plasma exposure over 6 h with the peak plasma level of 38000 nM, which suggests that SGC707 is suitable for animal studies.

Cell Research(from reference)

Cell lines:293, LnCap, U2O s, HFF, MCF-7, and MDA-MB-231 cells 

Concentrations:100 μM 

Incubation Time:72 h 

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 Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent N-carbamoyl-alpha amino acids and derivatives
Alternative Parents Alpha amino acid amides  Isoquinolines and derivatives  N-acylpyrrolidines  Pyridines and derivatives  Benzenoids  Tertiary carboxylic acid amides  Heteroaromatic compounds  Ureas  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Isoquinoline - N-acylpyrrolidine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Urea - Carbonic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom.
External Descriptors Not available

Product Properties

ALogP 0.43
HBD Count 2
Rotatable Bond 3

Associated Targets(Human)

PRMT3 Tchem Protein arginine N-methyltransferase 3 (4 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
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 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
RPS6KA4 Tchem Ribosomal protein S6 kinase alpha 4 (2104 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKG2 Tchem cGMP-dependent protein kinase 2 (1612 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
AOX1 Tchem Aldehyde oxidase (429 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
BRSK1 Tchem BR serine/threonine-protein kinase 1 (2120 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKX Tchem Serine/threonine-protein kinase PRKX (2278 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRMT3 Tchem Protein arginine N-methyltransferase 3 (219 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DLK1 Tchem Protein delta homolog 1 (64 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
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
METTL21A Tbio Protein N-lysine methyltransferase METTL21A (29 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

Associated Targets(non-human)

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
rep Replicase polyprotein 1ab (378 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

IUPAC Name 1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
INCHI InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)
InChIKey DMIDPTCQPIJYFE-UHFFFAOYSA-N
Smiles C1CCN(C1)C(=O)CNC(=O)NC2=CC3=C(C=C2)C=NC=C3
Isomeric SMILES C1CCN(C1)C(=O)CNC(=O)NC2=CC3=C(C=C2)C=NC=C3
PubChem CID 90642938
MeSH Entry Terms SGC707
Molecular Weight 298.34

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

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

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility 59
DMSO(mM) Max Solubility 197.7609439
Water(mg / mL) Max Solubility <1
Molecular Weight 298.340 g/mol
XLogP3 1.100
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 298.143 Da
Monoisotopic Mass 298.143 Da
Topological Polar Surface Area 74.300 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 409.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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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