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Chemical structure of TAK 21d

GC16033

TAK 21d

Also known as 4-[4-(3,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide

TAK 21d (compound 21d) is a potent, orally active and cross the blood-brain barrier fatty acid amide hydrolase (FAAH) inhibitor with IC50s of 0·72, 0·28 nM for hFAAH, rFAAH, respectively

ChemicalCAS1143578-94-2MW397.38FormulaC19H17F2N7O
CAS number
1143578-94-2
Molecular weight
397.38
Formula
C19H17F2N7O
Solubility
＜7·95mg/ml in 1eq· HCl
InChIKey
JCWVFSJNIBAGQN-UHFFFAOYSA-N
Catalogue number
GC16033
Brand
GLPBIO
Computed properties PubChem CID 57749996 · XLogP 1.4 · TPSA 87.1 Ų · H-bond donors 1
XLogP
1.4
TPSA
87.1 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
29

SMILES C1CN(CCN1C2=NC=CC(=N2)C3=CC(=C(C=C3)F)F)C(=O)NC4=NN=CC=C4

Computed descriptors from PubChem (CID 57749996), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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