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Chemical structure of hDHODH-IN-13

GC71093

hDHODH-IN-13

Also known as 2-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-5-cyclopropylpyrimidin-4-amine

hDHODH-IN-13 (compound w2) is an inhibitor of human dihydroorotate dehydrogenase (hDHODH) with an IC50 value of 173·4 nM· hDHODH-IN-13 can be used in the research of IBD

ChemicalCAS3032611-13-2MW393.84FormulaC21H17ClFN5
CAS number
3032611-13-2
Molecular weight
393.84
Formula
C21H17ClFN5
Solubility
DMSO : 125 mg/mL (317·39 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
ZESAVUVCFMDOPB-UHFFFAOYSA-N
Catalogue number
GC71093
Brand
GLPBIO
Computed properties PubChem CID 169450194 · XLogP 4.1 · TPSA 69.6 Ų · H-bond donors 1
XLogP
4.1
TPSA
69.6 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28

SMILES C1CC1C2=CN=C(N=C2N)C3=CN(C4=C3C=CC=N4)CC5=C(C=CC=C5Cl)F

Computed descriptors from PubChem (CID 169450194), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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