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CIAP1 Ligand-Linker Conjugates 11

CAT: 0931-T17885-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17885-01Size:100 mg
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CAS Number
1239943-19-1
Target
E3 Ligase Ligand-Linker Conjugate, Others
Related Pathways
PROTAC, Others
Bioactivity
CIAP1 Ligand-Linker Conjugates 11 is a chemical compound that combines an IAP ligand specifically designed for the E3 ubiquitin ligase with a PROTAC linker. This compound, cIAP1 Ligand-Linker Conjugates 11, is useful in the development of SNIPERs[1], allowing for the targeted degradation of proteins.
Smiles
CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)OCCOCCN
Molecular Formula
C35H43N3O7
Molecular Weight
617.743
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-2-(2-Aminoethoxy)ethyl 2-((2S,3R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-4-phenylbutanamido)-4-methylpentanoate
CAS Number1239943-19-1
PubChem CID168012256
IUPAC Name2-(2-aminoethoxy)ethyl (2S)-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate
Molecular FormulaC35H43N3O7
Molecular Weight617.7
XLogP4.3
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count45
Formal Charge0
Complexity905
SMILES
CC(C)C[C@@H](C(=O)OCCOCCN)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C35H43N3O7/c1-23(2)20-31(34(41)44-19-18-43-17-16-36)37-33(40)32(39)30(21-24-10-4-3-5-11-24)38-35(42)45-22-29-27-14-8-6-12-25(27)26-13-7-9-15-28(26)29/h3-15,23,29-32,39H,16-22,36H2,1-2H3,(H,37,40)(H,38,42)/t30-,31+,32+/m1/s1
InChIKey
MVFAWAOZYMMEOQ-RTOKGZNSSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(2-Aminoethoxy)ethyl 2-((2S,3R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-4-phenylbutanamido)-4-methylpentanoate
CAS: 1239943-19-1
CID: 168012256
Formula: C35H43N3O7
MW: 617.7
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight617.7
XLogP34.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass617.31010072
Monoisotopic Mass617.31010072
Topological Polar Surface Area149 Ų
Heavy Atom Count45
Formal Charge0
Complexity905
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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HY-128817-01CIAP1 Ligand-Linker Conjugates 12
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