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JNJ-1250132

CAT: 0931-T27662-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27662-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
240805-96-3
Target
Others, Estrogen Receptor/ERR, Glucocorticoid Receptor, Androgen Receptor, Progesterone Receptor
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
JNJ-1250132 is a steroidal progesterone receptor modulator that inhibits binding of the receptor to DNA in vitro.
Smiles
C[C@@]12[C@@](OC(C)=O)(C(C)=O)CC[C@]1([C@]3(C([C@H](C2)C4=CC=C(C=C4)N5CCCCC5)=C6C(CC3)=CC(=O)CC6)[H])[H]
Molecular Formula
C33H41NO4
Molecular Weight
515.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Jnj-1250132

structure in first source

CAS Number240805-96-3
PubChem CID9806562
IUPAC Name[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-11-(4-piperidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC33H41NO4
Molecular Weight515.7
XLogP4.3
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity1060
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N6CCCCC6)C)OC(=O)C
InChI
InChI=1S/C33H41NO4/c1-21(35)33(38-22(2)36)16-15-30-28-13-9-24-19-26(37)12-14-27(24)31(28)29(20-32(30,33)3)23-7-10-25(11-8-23)34-17-5-4-6-18-34/h7-8,10-11,19,28-30H,4-6,9,12-18,20H2,1-3H3/t28-,29+,30-,32-,33-/m0/s1
InChIKey
AFUBKIQQSUBSGF-LNAXGRFASA-N
Chemical Structure
2D Structure
2D structure of Jnj-1250132
CAS: 240805-96-3
CID: 9806562
Formula: C33H41NO4
MW: 515.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.7
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass515.30355879
Monoisotopic Mass515.30355879
Topological Polar Surface Area63.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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