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DS44960156 - 99%, high purity , CAS No.2361327-08-2

Grade & Purity:

≥99%

Cas Number: 2361327-08-2
Molecular Weight: 349.34
PubChem CID: 138393352

In stock

Item Number

D646229

Grouped product items
SKU	Size	Availability	Price
D646229-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$201.90
D646229-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$326.90
D646229-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$704.90
D646229-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,131.90

View related series

Amino Acid/Protein Metabolism (1836) Metabolic Enzyme/Protease (4860) Methylenetetrahydrofolate Dehydrogenase (MTHFD) (5)

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	DS44960156 is a selective Methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) inhibitor, with IC 50 values of 1.6 μM and >30 μM for MTHFD2 and MTHFD1, respectively.
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	DS44960156 is a selective Methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) inhibitor, with IC 50 values of 1.6 μM and >30 μM for MTHFD2 and MTHFD1, respectively Form:Solid IC50& Target:IC50: 1.6 μM (MTHFD2), >30 μM (MTHFD1)

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromenopyridines
Alternative Parents	Coumarins and derivatives Benzoic acids Benzamides Benzoyl derivatives Pyranones and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromenopyridine - Coumarin - Benzoic acid - Benzoic acid or derivatives - Benzamide - Benzoyl - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Azacycle - 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 - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene moiety.
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	4-(5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl)benzoic acid
INCHI	InChI=1S/C20H15NO5/c22-18(12-5-7-13(8-6-12)19(23)24)21-10-9-14-15-3-1-2-4-17(15)26-20(25)16(14)11-21/h1-8H,9-11H2,(H,23,24)
InChIKey	OXUKTNZACAKVRG-UHFFFAOYSA-N
Smiles	C1CN(CC2=C1C3=CC=CC=C3OC2=O)C(=O)C4=CC=C(C=C4)C(=O)O
Isomeric SMILES	C1CN(CC2=C1C3=CC=CC=C3OC2=O)C(=O)C4=CC=C(C=C4)C(=O)O
PubChem CID	138393352
Molecular Weight	349.34

Molecular Weight	349.300 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	349.095 Da
Monoisotopic Mass	349.095 Da
Topological Polar Surface Area	83.900 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	647.000
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

DS44960156 - 99%, high purity , CAS No.2361327-08-2

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