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PKUMDL-WQ-2201

CAT: 0013-GTR19196717-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196717-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PKUMDL-WQ-2201 is a selective, allosteric PHGDH inhibitor that binds to site II, exhibiting anti-tumor activity. It is a research tool for studying serine metabolism in cancer models, with applications in both in vitro biochemical assays and in vivo xenograft studies.
CAS Number
592474-91-4
Field of Research
Metabolism Research
Purity
95.41% (May vary between batches)
Smiles
O=C (O) C=1C=CC (=CC1Cl) C=2OC (C=NNC (=S) NCC) =CC2
Molecular Formula
C15H14ClN3O3S
Molecular Weight
351.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pkumdl-WQ-2201
CAS Number592474-91-4
PubChem CID6875399
IUPAC Name2-chloro-4-[5-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.8
XLogP3.2
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity463
SMILES
CCNC(=S)N/N=C/C1=CC=C(O1)C2=CC(=C(C=C2)C(=O)O)Cl
InChI
InChI=1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8+
InChIKey
XPACBFAEZIPDRT-QGMBQPNBSA-N
Chemical Structure
2D Structure
2D structure of Pkumdl-WQ-2201
CAS: 592474-91-4
CID: 6875399
Formula: C15H14ClN3O3S
MW: 351.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.8
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass351.0444402
Monoisotopic Mass351.0444402
Topological Polar Surface Area119 Ų
Heavy Atom Count23
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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