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SNIPER (CRABP) -11

CAT: 0013-GTR19192611Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192611Size:25 mg
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Description
SNIPER (CRABP) -11 is a potent small molecule degrader of the mitochondrial protein CRABP-II. This tool compound enables the study of CRABP-II function and targeted protein degradation mechanisms in both cellular and in vivo research models.
CAS Number
1384275-50-6
Field of Research
Signal Transduction
Smiles
C ([C@H] (NC (=O) [C@H]1N (C ([C@@H] (NC ([C@@H] (NC) C) =O) [C@H]2CCCCC2) =O) CCC1) C (NCCOCCOCCNC (CO/N=C\3C (C) =C (/C=C/C (=C/C=C/C (=C/C (O) =O) /C) /C) C (C) (C) CC3) =O) =O) (C4=CC=CC=C4) C5=CC=CC=C5
Molecular Formula
C60H83N7O10
Molecular Weight
1062.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sniper(crabp)-11
CAS Number1384275-50-6
PubChem CID70694633
IUPAC Name(2E,4E,6E,8E)-9-[(3E)-3-[2-[2-[2-[2-[[(2S)-2-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3,3-diphenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]imino-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Molecular FormulaC60H83N7O10
Molecular Weight1062.3
XLogP6.1
Topological Polar Surface Area226
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Heavy Atom Count77
Formal Charge0
Complexity2130
SMILES
CC\1=C(C(CC/C1=N\OCC(=O)NCCOCCOCCNC(=O)[C@H](C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C5CCCCC5)NC(=O)[C@H](C)NC)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
InChI
InChI=1S/C60H83N7O10/c1-41(19-17-20-42(2)39-52(69)70)28-29-48-43(3)49(30-31-60(48,5)6)66-77-40-51(68)62-32-35-75-37-38-76-36-33-63-58(73)55(53(45-21-11-8-12-22-45)46-23-13-9-14-24-46)65-57(72)50-27-18-34-67(50)59(74)54(47-25-15-10-16-26-47)64-56(71)44(4)61-7/h8-9,11-14,17,19-24,28-29,39,44,47,50,53-55,61H,10,15-16,18,25-27,30-38,40H2,1-7H3,(H,62,68)(H,63,73)(H,64,71)(H,65,72)(H,69,70)/b20-17+,29-28+,41-19+,42-39+,66-49+/t44-,50-,54-,55-/m0/s1
InChIKey
JKPIDKPKBOTXBU-HMLGKSOISA-N
Chemical Structure
2D Structure
2D structure of Sniper(crabp)-11
CAS: 1384275-50-6
CID: 70694633
Formula: C60H83N7O10
MW: 1062.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1062.3
XLogP36.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Exact Mass1061.62014187
Monoisotopic Mass1061.62014187
Topological Polar Surface Area226 Ų
Heavy Atom Count77
Formal Charge0
Complexity2130
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A22574-10SNIPER (CRABP) -11 10mg
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A22574-50SNIPER (CRABP) -11 50mg
A22574-1SNIPER (CRABP) -11 1mg
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