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Chemical structure of SHMT-IN-1

GC64890

SHMT-IN-1

Also known as 6-amino-4-cyclobutyl-4-(3,5-dichlorophenyl)-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

SHMT-IN-1 (compound (±)-46) is a potent inhibitor of plasmodial serine hydroxymethyltransferase (SHMT)· SHMT-IN-1 has antitumor activity

ChemicalCAS1508286-18-7MW375.25FormulaC18H16Cl2N4O
CAS number
1508286-18-7
Molecular weight
375.25
Formula
C18H16Cl2N4O
Solubility
DMSO : 250 mg/mL (666·22 mM; Need ultrasonic)
InChIKey
SPNNZCKKJSFKKB-UHFFFAOYSA-N
Catalogue number
GC64890
Brand
GLPBIO
Computed properties PubChem CID 122535411 · XLogP 5.2 · TPSA 87.7 Ų · H-bond donors 2
XLogP
5.2
TPSA
87.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

SMILES CC1=C2C(=NN1)OC(=C(C2(C3CCC3)C4=CC(=CC(=C4)Cl)Cl)C#N)N

Computed descriptors from PubChem (CID 122535411), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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