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ODM-201

CAT: 0607-A8452-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A8452-50Size:50 mg
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Description
new-generation androgen receptor inhibitor
CAS Number
1297538-32-9
Product Name Alternative
N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide
Field of Research
Endocrinology and Hormones Androgen Receptor
Purity
0.9802
Form
A solid
Solubility
insoluble in H2O; ≥12.7 mg/mL in EtOH with ultrasonic; ≥19.95 mg/mL in DMSO
Smiles
N#CC1=C(Cl)C=C(C2=NN(C[C@H](C)NC(C3=NNC(C(O)C)=C3)=O)C=C2)C=C1
Molecular Formula
C19H19ClN6O2
Molecular Weight
398.85
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Darolutamide

Darolutamide is a nonsteroidal androgen receptor antagonist for the treatment of castrate-resistant, non-metastatic prostate cancer (nmCRPC). This condition occurs in the majority of patients with advanced prostate cancer who have been treated with androgen receptor antagonists. Though prior treatment for prostate cancer has been successful for these patients, the cancer eventually progresses to become resistant to existing therapies. This warrants further treatment. The goal of treatment with darolutamide is to delay the progression of prostate cancer to metastatic disease, increasing quality of life and life expectancy for those with advanced prostate cancer. Darolutamide was developed by Bayer HealthCare Pharmaceuticals Inc. and approved by the FDA on July 30th, 2019.

CAS Number1297538-32-9
PubChem CID67171867
IUPAC NameN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide
Molecular FormulaC19H19ClN6O2
Molecular Weight398.8
XLogP1.8
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity598
SMILES
C[C@@H](CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NNC(=C3)C(C)O
InChI
InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1
InChIKey
BLIJXOOIHRSQRB-PXYINDEMSA-N
Chemical Structure
2D Structure
2D structure of Darolutamide
CAS: 1297538-32-9
CID: 67171867
Formula: C19H19ClN6O2
MW: 398.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.8
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass398.1258016
Monoisotopic Mass398.1258016
Topological Polar Surface Area120 Ų
Heavy Atom Count28
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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