Skip to the beginning of the images gallery

BMS-599626 Hydrochloride - 99%, high purity , CAS No.873837-23-1

COA

Grade & Purity:

≥99%

Cas Number: 873837-23-1
Molecular Weight: 567
PubChem CID: 46930994

In stock

Item Number

B650380

Grouped product items
SKU	Size	Availability	Price
B650380-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
B650380-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$540.90
B650380-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$900.90

View related series

EGFR (254) JAK/STAT Signaling (507) Protein Tyrosine Kinase/RTK (1314) Receptor Tyrosine Kinase (1260)

Basic Description

Synonyms	AC480 HCl \| [(3S)-Morpholin-3-yl]methyl [4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate--hydrogen chloride (1/1) \| 873837-23-1 (HCl) \| SW219554-1 \| AC-32042 \| AC 480 \| BMS-599626 (Hydrochloride) \|
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	BMS-599626 Hydrochloride (AC480 Hydrochloride) is a selective and orally bioavailable HER1 and HER2 inhibitor, with IC 50 s of 20 and 30 nM, respectively. BMS-599626 Hydrochloride displays ~8-fold less potent to HER4 (IC 50 =190 nM), >100-fold to VEGFR2 ,
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	BMS-599626 Hydrochloride (AC480 Hydrochloride) is a selective and orally bioavailable HER1 and HER2 inhibitor, with IC 50 s of 20 and 30 nM, respectively. BMS-599626 Hydrochloride displays ~8-fold less potent to HER4 (IC 50 =190 nM), >100-fold to VEGFR2, c-Kit , Lck, MEK. BMS-599626 Hydrochloride inhibits tumor cell proliferation, and has potential to increase tumor response to radiotherapy. In Vitro BMS-599626 Hydrochloride inhibits the proliferation of tumor cells that are dependent on HER1/HER2 signaling.BMS-599626 Hydrochloride (0.03-8 μM; 1 huors) results in the inhibition of receptor autophosphorylation, as well as MAPK phosphorylation, with IC 50 s of 0.3 and 0.22 μM, respectively, in Sal2 cells which express a CD8HER2 fusion protein. BMS-599626 Hydrochloride abrogates HER1 and HER2 signaling and inhibited the proliferation of tumor cell lines that are dependent on these receptors, with IC 50 s in the range of 0.24 to 1 μM.In GEO cells, HER1 phosphorylation is stimulated by treatment with EGF and is inhibited by BMS-599626 Hydrochloride (IC 50 =0. 75 μM).There is also nearly complete inhibition of EGF-dependent MAPK (0. 8 μM) but only partial inhibition of AKT signaling.The latter likely reflects the activation of AKT by multiple upstream signals.Treatment of N87 cells with BMS-599626 Hydrochloride leads to the inhibition of HER2 (0. 38 μM), which is expressed to a high level because of gene amplification, as well as MAPK and AKT phosphorylation (0.35 μM for both). At the molecular level, in HN-5 cells the agent (BMS-599626 Hydrochloride) inhibits the expression of pEGFR, pHER2, cyclins D and E, pRb, pAkt, pMAPK, pCDK1 and 2, CDK 6, and Ku70 proteins. BMS-599626 Hydrochloride also induced accumulation of cells in the G1 cell cycle phase, inhibited cell growth, enhanced radiosensitivity, and prolonged the presence of γ-H AX foci up to 24 h after radiation. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo BMS-599626 Hydrochloride (60-240 mg/kg; p.o.; daily for 14 days) results in a dose-dependent inhibition of Sal2 tumor growth . BMS-599626 Hydrochloride treatment results in the inhibition of GEO xenograft tumor growth when given once daily for 14 days. In addition to efficacy in the Sal2, GEO, and KPL4 models, BMS-599626 has similar antitumor activity in other HER2 amplified xenograft models including the BT474 breast and N87 gastric tumors, as well as other HER1-overexpressing non-small-cell lung tumors (A549 and L2987) . BMS-599626 Hydrochloride given before and during irradiation improved the radioresponse of HN5 tumors in vivo. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Athymic female nude mice ( nu/nu mice, Sal2 tumor model) Dosage: 60, 120, 240 mg/kg Administration: Oral; daily for 14 days Result: Resulted in a dose-dependent inhibition of Sal2 tumor growth. Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazoles
Alternative Parents	Pyrrolo[2,1-f][1,2,4]triazines Fluorobenzenes Substituted pyrroles 1,2,4-triazines Aryl fluorides Morpholines Imidolactams Pyrazoles Carbamate esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkylamines Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indazole - Pyrrolo[2,1-f][1,2,4]triazine - Benzopyrazole - Halobenzene - Fluorobenzene - Morpholine - Oxazinane - Aryl fluoride - Substituted pyrrole - Triazine - Monocyclic benzene moiety - 1,2,4-triazine - Aryl halide - Imidolactam - Benzenoid - Carbamic acid ester - Pyrrole - Azole - Pyrazole - Heteroaromatic compound - Oxacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrochloride - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate;hydrochloride
INCHI	InChI=1S/C27H27FN8O3.ClH/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18;/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33);1H/t22-;/m0./s1
InChIKey	COUSSRGSHIJMMN-FTBISJDPSA-N
Smiles	CC1=C2C(=NC=NN2C=C1NC(=O)OCC3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F.Cl
Isomeric SMILES	CC1=C2C(=NC=NN2C=C1NC(=O)OC[C@@H]3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F.Cl
Alternate CAS	873837-23-1
PubChem CID	46930994
Molecular Weight	567

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 100 mg/mL (176.36 mM; Need ultrasonic)
Molecular Weight	567.000 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	566.196 Da
Monoisotopic Mass	566.196 Da
Topological Polar Surface Area	120.000 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	828.000
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	2

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration