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HIF-PHD-IN-1

CAT: 0804-HY-131346-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131346-01Size:5 mg
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Description
HIF-PHD-IN-1 is an orally active inhibitor of hypoxia-inducible factor prolyl hydroxylase domain (HIF-PHD), with an IC50 of 54 nM for hHIF-PHD2. HIF-PHD-IN-1 is promising therapeutic agents for renal anemia[1].
CAS Number
1567657-46-8
UNSPSC
12352005
Target
HIF/HIF Prolyl-Hydroxylase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/hif-phd-in-1.html
Purity
99.37
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CN(C2=NC3=C(N([C@H](C4=CC(Cl)=CC=C4Cl)C)N=C3)C(N2)=O)N=C1)O
Molecular Formula
C17H12Cl2N6O3
Molecular Weight
419.22
References & Citations
[1]Goi T, et, al. Pyrazolo[4,3- d]pyrimidine Derivatives as a Novel Hypoxia-Inducible Factor Prolyl Hydroxylase Domain Inhibitor for the Treatment of Anemia. ACS Med Chem Lett. 2020 Jun 4; 11 (7) : 1416-1420.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hif-phd-IN-1
CAS Number1567657-46-8
PubChem CID137092773
IUPAC Name1-[1-[(1S)-1-(2,5-dichlorophenyl)ethyl]-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylic acid
Molecular FormulaC17H12Cl2N6O3
Molecular Weight419.2
XLogP2.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity679
SMILES
C[C@@H](C1=C(C=CC(=C1)Cl)Cl)N2C3=C(C=N2)N=C(NC3=O)N4C=C(C=N4)C(=O)O
InChI
InChI=1S/C17H12Cl2N6O3/c1-8(11-4-10(18)2-3-12(11)19)25-14-13(6-21-25)22-17(23-15(14)26)24-7-9(5-20-24)16(27)28/h2-8H,1H3,(H,27,28)(H,22,23,26)/t8-/m0/s1
InChIKey
BJMKDEGQDAVFGT-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Hif-phd-IN-1
CAS: 1567657-46-8
CID: 137092773
Formula: C17H12Cl2N6O3
MW: 419.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight419.2
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass418.0347937
Monoisotopic Mass418.0347937
Topological Polar Surface Area114 Ų
Heavy Atom Count28
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes