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(2S)-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid , CAS No.S608920, Inhibitor of EPH receptor A1;Inhibitor of EPH receptor A2;Inhibitor of EPH receptor A3;Inhibitor of EPH receptor A4;Inhibitor of EPH receptor A5;Inhibitor of EPH receptor A6;Inhibitor of EPH receptor A7;Inhibitor of EPH receptor A8;Inhibitor of EPH recept

COA COA
In stock
Item Number
S608920
Grouped product items
SKU Size
Availability
 Price Qty
S608920-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$700.90
S608920-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
EPH receptor A1 Inhibitor (2) EPH receptor A2 Inhibitor (5) EPH receptor A3 Inhibitor (4) EPH receptor A4 Inhibitor (2) EPH receptor A5 Inhibitor (3) EPH receptor A6 Inhibitor (1) EPH receptor A7 Inhibitor (4) EPH receptor A8 Inhibitor (4) EPH receptor B1 Inhibitor (2) EPH receptor B2 Inhibitor (4) EPH receptor B3 Inhibitor (2) EPH receptor B4 Inhibitor (4) EPH receptor B6 Inhibitor (1)

Basic Description

Synonyms PCM126 | compound 20
Specifications & Purity Moligand™
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of EPH receptor A1;Inhibitor of EPH receptor A2;Inhibitor of EPH receptor A3;Inhibitor of EPH receptor A4;Inhibitor of EPH receptor A5;Inhibitor of EPH receptor A6;Inhibitor of EPH receptor A7;Inhibitor of EPH receptor A8;Inhibitor of EPH recept

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Steroids and steroid derivatives
Subclass Bile acids, alcohols and derivatives
Intermediate Tree Nodes Not available
Direct Parent Glycinated bile acids and derivatives
Alternative Parents Monohydroxy bile acids, alcohols and derivatives  3-alpha-hydroxysteroids  N-acyl-L-alpha-amino acids  Indolyl carboxylic acids and derivatives  3-alkylindoles  Substituted pyrroles  Benzenoids  N-acyl amines  Heteroaromatic compounds  Secondary carboxylic acid amides  Secondary alcohols  Cyclic alcohols and derivatives  Azacyclic compounds  Carboxylic acids  Monocarboxylic acids and derivatives  Carbonyl compounds  Organic oxides  Organonitrogen compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Glycinated bile acid - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Indolyl carboxylic acid derivative - 3-alkylindole - Alpha-amino acid or derivatives - Indole - Indole or derivatives - Benzenoid - Substituted pyrrole - Fatty acyl - Fatty amide - N-acyl-amine - Heteroaromatic compound - Pyrrole - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton.
External Descriptors Not available

Associated Targets(Human)

EPHB3 Tchem Ephrin type-B receptor 3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHA2 Tclin Ephrin type-A receptor 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHA4 Tchem Ephrin type-A receptor 4 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHA8 Tchem Ephrin type-A receptor 8 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHB1 Tchem Ephrin type-B receptor 1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHB4 Tchem Ephrin type-B receptor 4 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHA5 Tchem Ephrin type-A receptor 5 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHB6 Tchem Ephrin type-B receptor 6 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHA1 Tchem Ephrin type-A receptor 1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHA3 Tchem Ephrin type-A receptor 3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHA6 Tchem Ephrin type-A receptor 6 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHA7 Tchem Ephrin type-A receptor 7 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHB2 Tchem Ephrin type-B receptor 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHB2 Tchem Ephrin type-B receptor 2 (1899 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHA2 Tclin Ephrin type-A receptor 2 (3499 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHA3 Tchem Ephrin type-A receptor 3 (1582 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHA8 Tchem Ephrin type-A receptor 8 (790 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHA5 Tchem Ephrin type-A receptor 5 (1056 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHB1 Tchem Ephrin type-B receptor 1 (840 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHA4 Tchem Ephrin type-A receptor 4 (2022 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHA7 Tchem Ephrin type-A receptor 7 (1002 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHA6 Tchem Ephrin type-A receptor 6 (366 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHB4 Tchem Ephrin type-B receptor 4 (3198 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHB3 Tchem Ephrin type-B receptor 3 (1881 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHA1 Tchem Ephrin type-A receptor 1 (1040 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EPHB6 Tchem Ephrin type-B receptor 6 (487 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 (2S)-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
INCHI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1
InChIKey ITOFPJRDSCGOSA-KZLRUDJFSA-N
Smiles O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C)C)C
Isomeric SMILES C[C@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@H](C6)O)C)C
PubChem CID 71718651

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

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

Solution Calculators

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