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BMS-978587 - 99%, high purity , CAS No.1629125-65-0

Grade & Purity:

≥99%

Cas Number: 1629125-65-0
Molecular Weight: 437.57
PubChem CID: 118676157

In stock

Item Number

B649429

Grouped product items
SKU	Size	Availability	Price
B649429-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$180.90
B649429-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
B649429-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$510.90
B649429-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,500.90

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Amino Acid/Protein Metabolism (1836) Indoleamine 2,3-Dioxygenase (IDO) (59) Metabolic Enzyme/Protease (4860)

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	BMS-978587 (IDO-IN-4) is an indoleamine 2,3-dioxygenase 1 ( IDO-1 ) inhibitor, extracted from patent WO2014150677A1, Compound example 1 enantiomer 1.
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.
Product Description	BMS-978587 (IDO-IN-4) is an indoleamine 2,3-dioxygenase 1 ( IDO-1 ) inhibitor, extracted from patent WO2014150677A1, Compound example 1 enantiomer 1. In Vitro BMS-978587 (IDO-IN-4) (Compound example 1 enantiomer 1) is a IDO-1 inhibitor in human IDO1/HEK293 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IDO-1

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	N-phenylureas
Intermediate Tree Nodes	Not available
Direct Parent	N-phenylureas
Alternative Parents	Dialkylarylamines Aniline and substituted anilines Toluenes Cyclopropanecarboxylic acids Ureas Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N-phenylurea - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Toluene - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Amino acid - Urea - Tertiary amine - Carbonic acid derivative - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
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

IUPAC Name	(1R,2S)-2-[4-[bis(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]cyclopropane-1-carboxylic acid
INCHI	InChI=1S/C26H35N3O3/c1-16(2)14-29(15-17(3)4)24-11-8-19(21-13-22(21)25(30)31)12-23(24)28-26(32)27-20-9-6-18(5)7-10-20/h6-12,16-17,21-22H,13-15H2,1-5H3,(H,30,31)(H2,27,28,32)/t21-,22-/m1/s1
InChIKey	VZYCPKLOYXSKAB-FGZHOGPDSA-N
Smiles	CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C3CC3C(=O)O)N(CC(C)C)CC(C)C
Isomeric SMILES	CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)[C@H]3C[C@H]3C(=O)O)N(CC(C)C)CC(C)C
PubChem CID	118676157
Molecular Weight	437.57

Solubility	DMSO : ≥ 100 mg/mL (228.53 mM)
Molecular Weight	437.600 g/mol
XLogP3	5.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	437.268 Da
Monoisotopic Mass	437.268 Da
Topological Polar Surface Area	81.700 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	620.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

BMS-978587 - 99%, high purity , CAS No.1629125-65-0

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