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TUS-007

CAT: 0013-GTR19220959-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220959-01Size:5 mg
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Description
TUS-007 is an orally bioavailable CANDDY-based degrader that potently and selectively targets KRAS G12D/V mutants for degradation. It demonstrates effective chemical knockdown in vitro and has shown promising tumor growth suppression in vivo, making it a valuable tool for oncology and targeted protein degradation research.
CAS Number
2227029-18-5
Field of Research
Signal Transduction
Smiles
CC[C@@H] (C) [C@H] (NC (=O) CCCCCCNC (=O) [C@H] (CC (C) C) NC (=O) CNC (=O) c1cc (Cl) ccc1Cl) C (=O) Nc1ccc2nc (Cc3c[nH]c4ccccc34) [nH]c2c1
Molecular Formula
C44H54Cl2N8O5
Molecular Weight
845.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,5-dichloro-N-[2-[[(2S)-1-[[7-[[(2S,3R)-1-[[2-(1H-indol-3-ylmethyl)-3H-benzimidazol-5-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-7-oxoheptyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]benzamide
CAS Number2227029-18-5
PubChem CID148364342
IUPAC Name2,5-dichloro-N-[2-[[(2S)-1-[[7-[[(2S,3R)-1-[[2-(1H-indol-3-ylmethyl)-3H-benzimidazol-5-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-7-oxoheptyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]benzamide
Molecular FormulaC44H54Cl2N8O5
Molecular Weight845.9
XLogP8
Topological Polar Surface Area190
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Heavy Atom Count59
Formal Charge0
Complexity1390
SMILES
CC[C@@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)N=C(N2)CC3=CNC4=CC=CC=C43)NC(=O)CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C5=C(C=CC(=C5)Cl)Cl
InChI
InChI=1S/C44H54Cl2N8O5/c1-5-27(4)41(44(59)50-30-16-18-35-36(23-30)52-38(51-35)21-28-24-48-34-13-10-9-12-31(28)34)54-39(55)14-8-6-7-11-19-47-43(58)37(20-26(2)3)53-40(56)25-49-42(57)32-22-29(45)15-17-33(32)46/h9-10,12-13,15-18,22-24,26-27,37,41,48H,5-8,11,14,19-21,25H2,1-4H3,(H,47,58)(H,49,57)(H,50,59)(H,51,52)(H,53,56)(H,54,55)/t27-,37+,41+/m1/s1
InChIKey
LLBSNYUMQZVIBK-UKMLIFFGSA-N
Chemical Structure
2D Structure
2D structure of 2,5-dichloro-N-[2-[[(2S)-1-[[7-[[(2S,3R)-1-[[2-(1H-indol-3-ylmethyl)-3H-benzimidazol-5-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-7-oxoheptyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]benzamide
CAS: 2227029-18-5
CID: 148364342
Formula: C44H54Cl2N8O5
MW: 845.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight845.9
XLogP38
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Exact Mass844.3594222
Monoisotopic Mass844.3594222
Topological Polar Surface Area190 Ų
Heavy Atom Count59
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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