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BMS 605541 - ≥98%(HPLC), high purity , CAS No.639858-32-5

COA COA
    Grade & Purity:
  • ≥98%(HPLC)
In stock
Item Number
B287122
Grouped product items
SKU Size
Availability
 Price Qty
B287122-5mg
5mg
3
$93.90
B287122-10mg
10mg
3
$147.90
B287122-25mg
25mg
3
$315.90
B287122-50mg
50mg
2
$513.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Potent VEGFR-2 inhibitor

View related series
PDGFR (109) Protein Tyrosine Kinase/RTK (1314) Receptor Tyrosine Kinase (1260)

Basic Description

Synonyms N-Cyclopropyl-2,4-difluoro-5-[[[2-(2-pyridinylamino)-5-thiazolyl]methyl]amino]benzamide
Specifications & Purity ≥98%(HPLC)
Biochemical and Physiological Mechanisms Potent ATP-competitive VEGFR-2 inhibitor (IC50= 23 nM). Shows >10-fold selectivity for VEGFR-2 over VEGFR-1. Displays antitumor properties in human lung and colon tumor xenograft models. Orally bioavailable in rodents.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoic acids and derivatives
Intermediate Tree Nodes Aminobenzoic acids and derivatives
Direct Parent Aminobenzamides
Alternative Parents 2-halobenzoic acids and derivatives  4-halobenzoic acids and derivatives  Benzamides  Aniline and substituted anilines  Phenylalkylamines  Benzoyl derivatives  2,5-disubstituted thiazoles  Aminopyridines and derivatives  Secondary alkylarylamines  Fluorobenzenes  Aryl fluorides  2-amino-1,3-thiazoles  Imidolactams  Vinylogous halides  Heteroaromatic compounds  Secondary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Organofluorides  Organooxygen compounds  Hydrocarbon derivatives  Organic oxides  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Aminobenzamide - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - 2,5-disubstituted 1,3-thiazole - Aminopyridine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - 1,3-thiazol-2-amine - Imidolactam - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Thiazole - Vinylogous halide - Azole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.
External Descriptors Not available

Associated Targets(Human)

KDR Tclin Vascular endothelial growth factor receptor 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KIT Tclin Stem cell growth factor receptor (10667 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKCZ Tchem Protein kinase C zeta (2414 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ITK Tclin Tyrosine-protein kinase ITK/TSK (3699 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FLT1 Tclin Vascular endothelial growth factor receptor 1 (6262 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 (4127 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKCH Tchem Protein kinase C eta (1863 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKCA Tchem Protein kinase C alpha (5923 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HUVEC (11049 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
L2987 (52 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SRPK1 Tchem Serine/threonine-protein kinase SRPK1 (2359 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAPK13 Tchem MAP kinase p38 (1586 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3A Tclin Glycogen synthase kinase-3 (736 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CAMK2D Tchem CaM kinase II (149 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Prkcd Protein kinase C delta (192 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name N-cyclopropyl-2,4-difluoro-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
INCHI InChI=1S/C19H17F2N5OS/c20-14-8-15(21)16(7-13(14)18(27)25-11-4-5-11)23-9-12-10-24-19(28-12)26-17-3-1-2-6-22-17/h1-3,6-8,10-11,23H,4-5,9H2,(H,25,27)(H,22,24,26)
InChIKey CUPLTRAPYIXFAX-UHFFFAOYSA-N
Smiles C1CC1NC(=O)C2=CC(=C(C=C2F)F)NCC3=CN=C(S3)NC4=CC=CC=N4
Isomeric SMILES C1CC1NC(=O)C2=CC(=C(C=C2F)F)NCC3=CN=C(S3)NC4=CC=CC=N4
Molecular Weight 401.43
Reaxy-Rn 10484819
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10484819&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
C2322254 Certificate of Analysis Feb 21, 2023 B287122
C2322263 Certificate of Analysis Feb 21, 2023 B287122
C2322264 Certificate of Analysis Feb 21, 2023 B287122
C2322253 Certificate of Analysis Feb 21, 2023 B287122

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 40.14, Max Conc. mM: 100
Molecular Weight 401.400 g/mol
XLogP3 3.600
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 401.112 Da
Monoisotopic Mass 401.112 Da
Topological Polar Surface Area 107.000 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 540.000
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 1

Solution Calculators

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