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Chemical structure of ALP/Carbonic anhydrase-IN-1

GC71420

ALP/Carbonic anhydrase-IN-1

Also known as 6-butylpyrrolo[1,2-a][1,8]naphthyridine

ALP/Carbonic anhydrase-IN-1 (Compound 1e) is a dual carbonic anhydrase (CA) and alkaline phosphatase (ALP) inhibitor

ChemicalCAS2091887-74-8MW224.3FormulaC15H16N2
CAS number
2091887-74-8
Molecular weight
224.3
Formula
C15H16N2
Solubility
DMSO ： 100 mg/mL (445·83 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
MIQCJJMJHXDYPK-UHFFFAOYSA-N
Catalogue number
GC71420
Brand
GLPBIO
Computed properties PubChem CID 169450792 · XLogP 5 · TPSA 17.3 Ų · H-bond donors 0
XLogP
5
TPSA
17.3 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
17

SMILES CCCCC1=CC2=C(N=CC=C2)N3C1=CC=C3

Computed descriptors from PubChem (CID 169450792), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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