CP-547632 hydrochloride - ≥98%(HPLC) , CAS No.252003-71-7

CAS: 252003-71-7 Cat. No.: C169036 Molecular Weight: 568.86 EC Number: 109-934-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

CP-547632 (hydrochloride) | CP-547632 hydrochloride | 3-[(4-Bromo-2,6-difluorophenyl)methoxy]-5-[[[[4-(1-pyrrolidinyl)butyl]amino]carbonyl]amino]-4-isothiazolecarboxamide hydrochloride | AKOS040732862 | UNII-OKR4BWW90F | MS-30286 | CP-547632 hydrochloride

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

CP-547632 (hydrochloride) | CP-547632 hydrochloride | 3-[(4-Bromo-2, 6-difluorophenyl)methoxy]-5-[[[[4-(1-pyrrolidinyl)butyl]amino]carbonyl]amino]-4-isothiazolecarboxamide hydrochloride | AKOS040732862 | UNII-OKR4BWW90F | MS-30286 | CP-547632 hydrochloride

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

CP-547632 is a potent inhibitor of the VEGFR-2 and basic fibroblast growth factor (FGF) kinases (IC50 = 11 and 9 nM, respectively). The compound CP-547632 inhibits VEGF and basic FGF-induced angiogenesis in animal models, and inhibits growth of xenograft

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N.Cl
• IUPAC Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide;hydrochloride
• InChIKey: NNPJZJJMQDXYGN-UHFFFAOYSA-N
• INCHI: 1S/C20H24BrF2N5O3S.ClH/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28;/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30);1H
• Isomeric SMILES: C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N.Cl
• Molecular Weight: 568.86
• Reaxy-Rn: 14470323
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14470323&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles
        • Level5 Thiazolecarboxylic acids and derivatives
          • Level6 Thiazolecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Thiazolecarboxylic acids and derivatives
• Direct Parent: Thiazolecarboxamides
• Alternative Parents: Alkyl aryl ethers Fluorobenzenes Bromobenzenes Aryl bromides N-alkylpyrrolidines Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organobromides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxamide - Alkyl aryl ether - Fluorobenzene - Halobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Aryl halide - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Urea - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.
• 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

Chemical and Physical Properties

• Molecular Weight: 568.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 567.052 Da
• Monoisotopic Mass: 567.052 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 622.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

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