[(2S)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate

Base Information

• Chemical Name: [(2S)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate
• CAS No.: 501345-02-4
• Molecular Formula: C24H25N5O5
• Molecular Weight: 463.4858
• Mol file: 501345-02-4.mol

Synonyms:VX 944;501345-02-4;SCHEMBL3867034;J-690309

Chemical Property of [(2S)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate

Chemical Property:

• Boiling Point: 587.76 °C at 760 mmHg
• Flash Point: 309.266 °C
• PSA: 145.49000
• Density: 1.297 g/cm³
• LogP: 5.37458
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 477.20121898
• Heavy Atom Count: 35
• Complexity: 743

Purity/Quality:

99%+, ^*data from raw suppliers

(R)-1-CYANOPROPAN-2-YL(S)-1-(3-(3-(3-METHOXY-4-(OXAZOL-5-YL)PHENYL)UREIDO)PHENYL)ETHYL CARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC#N)OC(=O)NC(C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)OC
• Isomeric SMILES: CC[C@@H](CC#N)OC(=O)N[C@@H](C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)OC
• Uses: AVN-944 is a novel inosine monophosphate dehydrogenase (IMPDH) inhibitor. It has antiproliferative effects and might be combined with other agents for treatment of human prostate cancer.This compound is suitable for pyruvate dehydrogenase (PDH) related research.