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ATRA-hydroxyimino

CAT: 0931-T17733-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T17733-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135325-47-2
Target
Others, Ligands for Target Protein for PROTAC
Related Pathways
PROTAC, Others
Bioactivity
ATRA-hydroxyimino, also known as CRABP-II ligand 1, is a chemical compound derived from Retinoic acid (ATRA) . This compound binds to the cIAP1 ligand, specifically Bestatin, through a linker, resulting in the formation of a complex called SNIPER. The purpose of this complex is to degrade CRABP-II within IMR-32 cells[1].
Smiles
C(=C/C(=C/C=C/C(=C/C(O)=O)/C)/C)\C1=C(C)C(=N\O)\CCC1(C)C
Molecular Formula
C20H27NO3
Molecular Weight
329.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ATRA-hydroxyimino
CAS Number135325-47-2
PubChem CID138377549
IUPAC Name(2E,4E,6E,8E)-9-[(3E)-3-hydroxyimino-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Molecular FormulaC20H27NO3
Molecular Weight329.4
XLogP5.1
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity671
SMILES
CC\1=C(C(CC/C1=N\O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
InChI
InChI=1S/C20H27NO3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21-24)11-12-20(17,4)5/h6-10,13,24H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+,21-18+
InChIKey
TXLVFISHOZJIQV-WYIJURDSSA-N
Chemical Structure
2D Structure
2D structure of ATRA-hydroxyimino
CAS: 135325-47-2
CID: 138377549
Formula: C20H27NO3
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass329.19909372
Monoisotopic Mass329.19909372
Topological Polar Surface Area69.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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