Products for Research Use Only

PHD-IN-2

CAT: 0013-GTR19230254-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230254-01Size:5 mg
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Description
PHD-IN-2 (Compound 91) is a potent PHD inhibitor (IC50 < 5 nM) that induces erythropoietin production in vitro (EC50 < 2.5 μM in HEP3B cells) . Its research applications span studies of anemia, ischemia, and metabolic disorders, supported by investigations in cellular and animal models of hypoxia-related pathophysiology.
CAS Number
2924182-42-1
Field of Research
Epigenetics & Chromatin, Metabolism Research
Smiles
C (OC (C) (C) C) (=O) N1CC2 (CN (C2) C3=NC4=C (C=C3) C (O) =C (C (NCC=5C=CC (C#N) =NC5) =O) N=C4) C1
Molecular Formula
C26H27N7O4
Molecular Weight
501.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phd-IN-2
CAS Number2924182-42-1
PubChem CID168476176
IUPAC Nametert-butyl 6-[6-[(6-cyano-3-pyridinyl)methylcarbamoyl]-5-hydroxy-1,7-naphthyridin-2-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
Molecular FormulaC26H27N7O4
Molecular Weight501.5
XLogP2.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity916
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CN(C2)C3=NC4=CN=C(C(=C4C=C3)O)C(=O)NCC5=CN=C(C=C5)C#N
InChI
InChI=1S/C26H27N7O4/c1-25(2,3)37-24(36)33-14-26(15-33)12-32(13-26)20-7-6-18-19(31-20)11-29-21(22(18)34)23(35)30-10-16-4-5-17(8-27)28-9-16/h4-7,9,11,34H,10,12-15H2,1-3H3,(H,30,35)
InChIKey
GWUYHNJGQULKDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phd-IN-2
CAS: 2924182-42-1
CID: 168476176
Formula: C26H27N7O4
MW: 501.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight501.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass501.21245237
Monoisotopic Mass501.21245237
Topological Polar Surface Area145 Ų
Heavy Atom Count37
Formal Charge0
Complexity916
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes