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ligands for drug targets
Synthetic organic
(1R,3aS,5aR,5bR,9R,11aR)-9-((Cyclopropylcarbamoyl)oxy)-1-((S)-1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate

(1R,3aS,5aR,5bR,9R,11aR)-9-((Cyclopropylcarbamoyl)oxy)-1-((S)-1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate

For research use only. We do not sell to patients.

PubChem CID: 156304705

Item Number

R608655

Grouped product items
SKU	Size	Availability	Price	Qty
R608655-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,999.90
R608655-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,999.90

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Basic Description

Synonyms	compound 11d

Names and Identifiers

IUPAC Name	(1R,3aS,5aR,5bR,9R,11aR)-9-((Cyclopropylcarbamoyl)oxy)-1-((S)-1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate
INCHI	InChI=1S/C33H53NO5/c1-19(35)21-11-16-33(27(36)37)18-17-31(5)22(26(21)33)9-10-24-30(4)14-13-25(39-28(38)34-20-7-8-20)29(2,3)23(30)12-15-32(24,31)6/h19-26,35H,7-18H2,1-6H3,(H,34,38)(H,36,37)/t19-,21-,22?,23?,24?,25+,26?,30-,31+,32+,33-/m0/s1
InChi Key	NZSQBRZWARZNQH-ZWOACCQCSA-N
Canonical SMILES	CC1(C)[C@H](OC(=O)NC2CC2)CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]1(C)CC[C@]1(C(=O)O)C2[C@H]([C@H](C)O)CC1
PubChem CID	156304705

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Specification Sheet

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Associated Targets

CTH Tchem Cystathionine gamma-lyase 7 Activities

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

C7orf77 Tdark Uncharacterized protein C7orf77 0 Activities

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

C8orf34 Tbio Uncharacterized protein C8orf34 0 Activities

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

CGGBP1 Tbio CGG triplet repeat-binding protein 1 0 Activities

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

C8orf76 Tdark Uncharacterized protein C8orf76 0 Activities

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

CHD1 Tbio Chromodomain-helicase-DNA-binding protein 1 0 Activities

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

CHERP Tbio Calcium homeostasis endoplasmic reticulum protein 0 Activities

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

CHP1 Tbio Calcineurin B homologous protein 1 0 Activities

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

CAMTA2 Tbio Calmodulin-binding transcription activator 2 0 Activities

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

CNBD1 Tdark Cyclic nucleotide-binding domain-containing protein 1 0 Activities

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

CNBD2 Tdark Cyclic nucleotide-binding domain-containing protein 2 0 Activities

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

COMTD1 Tdark Catechol O-methyltransferase domain-containing protein 1 0 Activities

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

NCAPD3 Tbio Condensin-2 complex subunit D3 0 Activities

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

CMTR2 Tbio Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 2 0 Activities

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

CTNNBIP1 Tbio Beta-catenin-interacting protein 1 0 Activities

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

CNDP2 Tbio Cytosolic non-specific dipeptidase 0 Activities

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

PDE6H Tclin Retinal cone rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma 0 Activities

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

CTDNEP1 Tbio CTD nuclear envelope phosphatase 1 0 Activities

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

CNFN Tdark Cornifelin 0 Activities

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

CNKSR1 Tchem Connector enhancer of kinase suppressor of ras 1 30 Activities

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

References

1. Yun Y, Zhang C, Guo S, Liang X, Lan Y, Wang M, Zhuo N, Yin J, Liu H, Gu M et al.. (2021) Identification of Betulinic Acid Derivatives as Potent TGR5 Agonists with Antidiabetic Effects via Humanized TGR5^H88Y Mutant Mice.. J Med Chem, 23 (11): (1531-6). [PMID:34406006]