CTA091 - Moligand™ , Inhibitor of CYP24A1;Inhibitor of CYP27A1;Inhibitor of CYP27B1, CAS No.C609612, Inhibitor of CYP24A1;Inhibitor of CYP27A1;Inhibitor of CYP27B1

CAS: C609612 Cat. No.: C609612 PubChem CID: 9982767

GRADE & PURITY Moligand™

Synonyms

compound 3a;MK-24(S)-S(O)(NH)Ph

Storage

Room temperature

Specifications

Synonyms

compound 3a;MK-24(S)-S(O)(NH)Ph

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of CYP24A1;Inhibitor of CYP27A1;Inhibitor of CYP27B1

Names and Identifiers

• Canonical Smiles: O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCS(=O)(=N)c2ccccc2)C)C)/C1
• IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
• InChIKey: FANCTJAFZSYTIS-IQUVVAJASA-N
• INCHI: 1S/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,20,24,26-28,30-32H,2,7-8,13-19H2,1,3H3/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/m1/s1
• Isomeric SMILES: C[C@H](CCS(=N)(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
• PubChem CID: 9982767

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Vitamin D and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Vitamin D and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Vitamin D and derivatives
• Alternative Parents: Triterpenoids Benzene and substituted derivatives Secondary alcohols Cyclic alcohols and derivatives Organosulfur compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triterpenoid - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Secondary alcohol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP27A1 Tchem Sterol 26-hydroxylase, mitochondrial (0 Activities)

Discover Target: CYP27A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP24A1 Tchem 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (7 Activities)

Discover Target: CYP24A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP27B1 Tchem 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial (2 Activities)

Discover Target: CYP27B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP27A1 Tchem Sterol 26-hydroxylase, mitochondrial (9 Activities)

Discover Target: CYP27A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Cyp24a1 Cytochrome P450 24A1 (20 Activities)

Discover Target: Cyp24a1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action