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OP-3633

CAT: 0931-T16396-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T16396-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2102494-14-2
Target
Others, Glucocorticoid Receptor
Related Pathways
Endocrinology/Hormones, Others
Bioactivity
OP-3633 is an effective and selective steroidal glucocorticoid receptor (GR) antagonist (IC50: 29 nM) . OP-3633 shows low progesterone receptor (PR) agonism and androgen receptor (AR) antagonism. It also has an inhibition of GR transcriptional activity.
Smiles
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@]3(C5=CC=C(N(C)C)C=C5)[H])[C@@](C#CC)(O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H]
Molecular Formula
C30H39NO2
Molecular Weight
445.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 138911324
CAS Number2102494-14-2
PubChem CID138911324
IUPAC Name(8S,9R,10R,11S,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-10,13-dimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC30H39NO2
Molecular Weight445.6
XLogP5.1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity899
SMILES
CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C5=CC=C(C=C5)N(C)C)C)O
InChI
InChI=1S/C30H39NO2/c1-6-15-30(33)17-14-26-24-12-9-21-18-23(32)13-16-28(21,2)27(24)25(19-29(26,30)3)20-7-10-22(11-8-20)31(4)5/h7-8,10-11,18,24-27,33H,9,12-14,16-17,19H2,1-5H3/t24-,25+,26-,27+,28-,29-,30-/m0/s1
InChIKey
LJUSMSPTDKGAFT-LMNHVJTASA-N
Chemical Structure
2D Structure
2D structure of CID 138911324
CAS: 2102494-14-2
CID: 138911324
Formula: C30H39NO2
MW: 445.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.6
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass445.298079487
Monoisotopic Mass445.298079487
Topological Polar Surface Area40.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity899
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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