Nastorazepide - Moligand™, ≥98% , Antagonist of CCK 2 receptor, CAS No.209219-38-5, Antagonist of CCK 2 receptor

CAS: 209219-38-5 Cat. No.: N413682 Formule: C₂₉H₃₆N₄O₅ Poids moléculaire: 520.6

GRADE & PURITY Moligand™, ≥98%

Synonyms

A924416 | Q27089277 | D87151 | EX-A1929 | CHEBI:166857 | HY-138941 | NASTORAZEPIDE [INN] | R-(-)-Z-360 Free acid | GTPL907 | (R)-(-)-3-[3-(1-tert-butylcarbonylmethyl-2-oxo-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)ureido]benzoic acid | NCG

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Nastorazepide (Z-360) is a selective, orally available antagonist of 1,5-benzodiazepine-derivative gastrin/cholecystokinin 2 (CCK-2) receptor with potential antineoplastic activity.

Specifications

Synonymes

A924416 | Q27089277 | D87151 | EX-A1929 | CHEBI:166857 | HY-138941 | NASTORAZEPIDE [INN] | R-(-)-Z-360 Free acid | GTPL907 | (R)-(-)-3-[3-(1-tert-butylcarbonylmethyl-2-oxo-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)ureido]benzoic acid | NCG

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Nastorazepide (Z-360) is a selective, orally available antagonist of 1,5-benzodiazepine-derivative gastrin/cholecystokinin 2 (CCK-2) receptor with potential antineoplastic activity.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of CCK 2 receptor

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528766369

Sourires canoniques

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

IUPAC Name

3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

InChIKey

VIJCCFFEBCOOIE-JOCHJYFZSA-N

INCHI

1S/C29H36N4O5/c1-29(2,3)25(34)18-33-24-15-8-7-14-23(24)32(21-12-5-4-6-13-21)17-22(26(33)35)31-28(38)30-20-11-9-10-19(16-20)27(36)37/h7-11,14-16,21-22H,4-6,12-13,17-18H2,1-3H3,(H,36,37)(H2,30,31,38)/t22-/m1/s1

Isomères SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

Poids moléculaire

520.6

Reaxy-Rn

25884504

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25884504&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodiazepines
• Alternative Parents: Alpha amino acids and derivatives N-phenylureas Benzoic acids Dialkylarylamines Benzoyl derivatives Cyclohexylamines 1,4-diazepines Tertiary carboxylic acid amides Lactams Ketones Amino acids Ureas Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Para-diazepine - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Tertiary amine - Urea - Lactam - Ketone - Amino acid or derivatives - Carboxamide group - Amino acid - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

CCKBR Tclin Gastrin/cholecystokinin type B receptor (1 Activities)

Discover Target: CCKBR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO: 30 mg/mL (57.63 mM)
• Poids moléculaire: 520.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 520.269 Da
• Monoisotopic Mass: 520.269 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 881.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1