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LY309887

CAT: 0013-GTR19203607-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203607-02Size:50 mg
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Description
LY309887 is a potent small molecule inhibitor of glycinamide ribonucleotide formyltransferase (GARFT) with a Ki of 6.5 nM, exhibiting antitumor properties. It is utilized in cancer research to study purine biosynthesis inhibition and has demonstrated activity in both in vitro and in vivo experimental models.
CAS Number
127228-54-0
Field of Research
Cell Biology, Immunology & Inflammation
Smiles
Nc1nc2NC[C@H] (CCc3ccc (s3) C (=O) N[C@@H] (CCC (O) =O) C (O) =O) Cc2c (=O) [nH]1
Molecular Formula
C19H23N5O6S
Molecular Weight
449.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY-309887
CAS Number127228-54-0
PubChem CID135430850
IUPAC Name(2S)-2-[[5-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
Molecular FormulaC19H23N5O6S
Molecular Weight449.5
XLogP0.3
Topological Polar Surface Area211
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity829
SMILES
C1[C@H](CNC2=C1C(=O)NC(=N2)N)CCC3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1
InChIKey
GQCXGHHHNACOGE-SKDRFNHKSA-N
Chemical Structure
2D Structure
2D structure of LY-309887
CAS: 127228-54-0
CID: 135430850
Formula: C19H23N5O6S
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP30.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass449.13690464
Monoisotopic Mass449.13690464
Topological Polar Surface Area211 Ų
Heavy Atom Count31
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA3703-10LY309887
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A21905-100LY309887 100mg
A21905-50LY309887 50mg
A21905-10LY309887 10mg
A21905-1LY309887 1mg
A21905-25LY309887 25mg

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