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LY 288601

CAT: 0931-T25763-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25763-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152920-47-3
Target
Others
Related Pathways
Others
Bioactivity
LY 288601 is the 5,6-dihydro analog of LY231514 that has antitumor activity.
Smiles
C(CC1=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C1)[C@@H]2C3=C(NC2)NC(N)=NC3=O
Molecular Formula
C20H23N5O6
Molecular Weight
429.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LY 288601

RN refer to (L-(R))-isomer; structure given in first source

CAS Number152920-47-3
PubChem CID135596585
IUPAC Name(2S)-2-[[4-[2-[(5R)-2-amino-4-oxo-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid
Molecular FormulaC20H23N5O6
Molecular Weight429.4
XLogP-0.2
Topological Polar Surface Area183
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity815
SMILES
C1[C@@H](C2=C(N1)N=C(NC2=O)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H23N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,12-13H,3,6-9H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t12-,13-/m0/s1
InChIKey
WIQHGSZNXPONNQ-STQMWFEESA-N
Chemical Structure
2D Structure
2D structure of LY 288601
CAS: 152920-47-3
CID: 135596585
Formula: C20H23N5O6
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.4
XLogP3-0.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass429.16483347
Monoisotopic Mass429.16483347
Topological Polar Surface Area183 Ų
Heavy Atom Count31
Formal Charge0
Complexity815
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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Alternative Products

CatalogName
HY-122250LY 288601

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