Products for Research Use Only
RegisterLogin

Asoprisnil ecamate

CAT: 0804-HY-106140ASize: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-106140ASize:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Asoprisnil ecamate (J 956) is an orally active antiprogestin, and can be used for contraception[1].
CAS Number
222732-94-7
Product Name Alternative
J 956
UNSPSC
12352005
Target
Progesterone Receptor
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/asoprisnil-ecamate.html
Smiles
C[C@@]12[C@](CC[C@@]2(OC)COC)([H])[C@@]3([H])C([C@@H](C4=CC=C(C=C4)/C=N/OC(NCC)=O)C1)=C5C(CC3)=CC(CC5)=O
Molecular Formula
C31H40N2O5
Molecular Weight
520.66
References & Citations
[1]Jewgenow K, et al. Administration of antiprogestin J956 for contraception in bears: a pharmacological study. Theriogenology. 2001 Sep 1;56 (4) :601-11.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Asoprisnil ecamate

Asoprisnil ecamate is a small molecule drug. The usage of the INN stem '-nil' in the name indicates that Asoprisnil ecamate is a benzodiazepine receptor antagonist/agonist. Asoprisnil ecamate has a monoisotopic molecular weight of 520.29 Da.

CAS Number222732-94-7
PubChem CID9578571
IUPAC Name[(E)-[4-[(8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] N-ethylcarbamate
Molecular FormulaC31H40N2O5
Molecular Weight520.7
XLogP3.5
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity1010
SMILES
CCNC(=O)O/N=C/C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(COC)OC)[C@H]4C2=C5CCC(=O)C=C5CC4)C
InChI
InChI=1S/C31H40N2O5/c1-5-32-29(35)38-33-18-20-6-8-21(9-7-20)26-17-30(2)27(14-15-31(30,37-4)19-36-3)25-12-10-22-16-23(34)11-13-24(22)28(25)26/h6-9,16,18,25-27H,5,10-15,17,19H2,1-4H3,(H,32,35)/b33-18+/t25-,26+,27-,30-,31+/m0/s1
InChIKey
XMCOWVOJIVSMEO-RCCUTSCYSA-N
Chemical Structure
2D Structure
2D structure of Asoprisnil ecamate
CAS: 222732-94-7
CID: 9578571
Formula: C31H40N2O5
MW: 520.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.7
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass520.29372238
Monoisotopic Mass520.29372238
Topological Polar Surface Area86.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-119433-01Asoprisnil

Alternative Products

CatalogName
MBS5776397Asoprisnil ecamate
BA9259-1Asoprisnil
441826-01Asoprisnil-D3
A19030-1Asoprisnil 1mg
AR-A02651-01Asoprisnil-d4
A19030-5Asoprisnil 5mg
A19030-10Asoprisnil 10mg
AR-A02652-01Asoprisnil-d6
A19030-50Asoprisnil 50mg
AR-A02653-01O-Desmethyl-Asoprisnil

Popular Products