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Rezvilutamide

CAT: 0931-T39044-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T39044-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1572045-62-5
Target
Androgen Receptor
Related Pathways
Endocrinology/Hormones
Purity
0.9997
Bioactivity
Rezvilutamide (SHR3680) is an orally available androgen receptor inhibitor that crosses the blood-brain barrier and has antitumor activity.Rezvilutamide (SHR3680) is used in the study of metastatic desmoplasia-resistant prostate cancer.
Smiles
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(OC[C@@H](O)CO)cc1
Molecular Formula
C22H20F3N3O4S
Molecular Weight
479.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rezvilutamide

Rezvilutamide is under investigation in clinical trial NCT05956639 (Comparing a 6-month vs Long-term Course of Rezvilutamide With ADT Plus Chemotherapy in Mhspc).

CAS Number1572045-62-5
PubChem CID89995232
IUPAC Name4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Molecular FormulaC22H20F3N3O4S
Molecular Weight479.5
XLogP2.9
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity791
SMILES
CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
InChI
InChI=1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1
InChIKey
KRBMOYIWQCZVHA-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Rezvilutamide
CAS: 1572045-62-5
CID: 89995232
Formula: C22H20F3N3O4S
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass479.11266179
Monoisotopic Mass479.11266179
Topological Polar Surface Area129 Ų
Heavy Atom Count33
Formal Charge0
Complexity791
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA9179-5Rezvilutamide
RM-R194102-01Rezvilutamide Impurity 2
RM-R194104-01Rezvilutamide Impurity 4
RM-R194103-01Rezvilutamide Impurity 3

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