ChemicalBook--->CAS DataBase List--->2102681-49-0

2102681-49-0

2102681-49-0 Structure

2102681-49-0 Structure
IdentificationBack Directory
[Name]

SHMT-IN-2
[CAS]

2102681-49-0
[Synonyms]

SHIN2
SHMT-IN-2
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-2,4-dihydro-3-methyl-4-(1-methylethyl)-4-[3-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-
[Molecular Formula]

C22H24F3N5O
[MOL File]

2102681-49-0.mol
[Molecular Weight]

431.45
Chemical PropertiesBack Directory
[Boiling point ]

621.2±55.0 °C(Predicted)
[density ]

1.37±0.1 g/cm3(Predicted)
[storage temp. ]

4°C, protect from light
[solubility ]

DMSO : 100 mg/mL (231.78 mM; Need ultrasonic)
[form ]

Solid
[pka]

11.77±0.70(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

SHMT-IN-2 is a stereo specific inhibitor of human SHMT1/2 with IC50 values of 13 nM and 66 nM for SHMT1 and SHMT2, respectively. SHMT-IN-2 can block the growth of many human cancer cells, and has sensitivity for B-cell lymphomas[1].
[storage]

4°C, protect from light
[References]

[1] regory S Ducker, et al. Human SHMT inhibitors reveal defective glycine import as a targetable metabolic vulnerability of diffuse large B-cell lymphoma. Proc Natl Acad Sci U S A. 2017 Oct 24;114(43):11404-11409. DOI:10.1073/pnas.1706617114
Spectrum DetailBack Directory
[Spectrum Detail]

SHMT-IN-2(2102681-49-0)1HNMR
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