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CIAP1 Ligand-Linker Conjugates 14

CAT: 0013-GTR19225594-01Size: 100 mgDry Ice: NoHazardous: No
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Description
CIAP1 Ligand-Linker Conjugates 14 are bifunctional molecules combining a cIAP1-targeting ligand with a PROTAC linker. They serve as key intermediates for constructing SNIPERs (Specific and Non-genetic IAP-dependent Protein Erasers), utilized in cancer research for targeted protein degradation studies in both cellular and animal models.
CAS Number
1351169-40-8
Field of Research
Pharmacology & Drug Discovery
Smiles
C (OC (N[C@H] (CC1=CC=CC=C1) [C@@H] (C (N[C@H] (C (NCCOCCOCCOCC (O) =O) =O) CC (C) C) =O) O) =O) C2C=3C (C=4C2=CC=CC4) =CC=CC3
Molecular Formula
C39H49N3O10
Molecular Weight
719.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

cIAP1 Ligand-Linker Conjugates 14
CAS Number1351169-40-8
PubChem CID138911365
IUPAC Name2-[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]ethoxy]ethoxy]ethoxy]acetic acid
Molecular FormulaC39H49N3O10
Molecular Weight719.8
XLogP4
Topological Polar Surface Area182
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Heavy Atom Count52
Formal Charge0
Complexity1080
SMILES
CC(C)C[C@@H](C(=O)NCCOCCOCCOCC(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C39H49N3O10/c1-26(2)22-34(37(46)40-16-17-49-18-19-50-20-21-51-25-35(43)44)41-38(47)36(45)33(23-27-10-4-3-5-11-27)42-39(48)52-24-32-30-14-8-6-12-28(30)29-13-7-9-15-31(29)32/h3-15,26,32-34,36,45H,16-25H2,1-2H3,(H,40,46)(H,41,47)(H,42,48)(H,43,44)/t33-,34+,36+/m1/s1
InChIKey
DCRUHCTZKLQUKA-ZHAMFGDSSA-N
Chemical Structure
2D Structure
2D structure of cIAP1 Ligand-Linker Conjugates 14
CAS: 1351169-40-8
CID: 138911365
Formula: C39H49N3O10
MW: 719.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight719.8
XLogP34
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Exact Mass719.34179477
Monoisotopic Mass719.34179477
Topological Polar Surface Area182 Ų
Heavy Atom Count52
Formal Charge0
Complexity1080
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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