8-Chloro-dibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid 2-[3-[(2-furanylmethyl)thio]-1-oxopropyl]hydrazide

Base Information

• Chemical Name: 8-Chloro-dibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid 2-[3-[(2-furanylmethyl)thio]-1-oxopropyl]hydrazide
• CAS No.: 146032-79-3
• Molecular Formula: C22H20 Cl N3 O4 S
• Molecular Weight: 457.93
• European Community (EC) Number: 662-647-0
• DSSTox Substance ID: DTXSID10433022
• Nikkaji Number: J732.239I
• Wikidata: Q27088749
• Pharos Ligand ID: X5YSX4NBMH3S
• ChEMBL ID: CHEMBL358653
• Mol file: 146032-79-3.mol

Synonyms:146032-79-3;SC-51322;SC 51322;8-Chloro-dibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid 2-[3-[(2-furanylmethyl)thio]-1-oxopropyl]hydrazide;SC51322;3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide;D0V9QT;CHEMBL358653;GTPL1924;BDBM85599;DTXSID10433022;HMS3263N13;Tox21_501186;AKOS024457295;CCG-222490;NCGC00261871-01;8-Chloro-2-[3-[(2-furanylmethyl)thio]-1-oxopropyl]-dibenz(Z)[b,f][1,4]oxazepine-10(11H)-carboxylic acid hydrazide;HY-108562;CAS_146032-79-3;CS-0029173;FT-0674532;SC-51322, >=98% (HPLC);L000547;J-008183;Q27088749;3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,5]benzoxazepine-5-carbohydrazide;8-chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-[3-[(2-furanylmethyl)thio]-1-oxopropyl]hydrazide;8-chlorodibenz[b,f][1,41oxazepine-10(11H)-carboxylic acid, 2-[3-[(2-furanylmethyl)thio]-1-oxopropyl]hydrazide

Chemical Property of 8-Chloro-dibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid 2-[3-[(2-furanylmethyl)thio]-1-oxopropyl]hydrazide

Chemical Property:

• Melting Point: 112-114°C
• PSA: 109.11000
• LogP: 5.95640
• Storage Temp.: Store at +4°C
• Solubility.: DMSO: ≥10mg/mL
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 457.0863050
• Heavy Atom Count: 31
• Complexity: 628

Purity/Quality:

97% ^*data from raw suppliers

SC-51322 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCSCC4=CC=CO4)C=C(C=C3)Cl
• Description: The prostaglandin E2 (PGE2) receptor (EP1) is involved in triggering PGE2-mediated pain as well as neuronal survival and growth. SC-51322 is a selective EP1 antagonist that inhibits PGE2 signaling in a guinea pig ileum muscle strip assay with a pA2 value of 8.1 and demonstrates analgesic activity in a mouse writhing assay with an ED50 value of 0.9 mg/kg. It is pharmacologically similar to SC-51089, but does not release hydrazine, a known carcinogen to rats, as does SC-51089. SC-51322 potentiates the vasorelaxation of human pulmonary vein induced by PGE2 with an EC50 value of 7.75 μM.
• Uses: A selective E-prostanoid receptor subtype 1 (EP1) receptor antagonist which shows antihypertensive effects.