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HDAC6 degrader 9c

CAT: 0931-T69753-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T69753-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2235382-05-3
Target
PROTACs, HDAC
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic, PROTAC
Purity
>99.99%
Bioactivity
HDAC6 degrader 9c is a small molecule histone deacetylase 6 (HDAC6) degrader that can be used to study cancer or other diseases.
Smiles
N(CC1=CN(CCOCCOCCOC2=CC=C(/C=N/NC(CCCCCCC(NO)=O)=O)C=C2)N=N1)C3=C4C(C(=O)N(C4=O)C5C(=O)NC(=O)CC5)=CC=C3
Molecular Formula
C37H45N9O10
Molecular Weight
775.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

HDAC6 degrader 9c
CAS Number2235382-05-3
PubChem CID145708078
IUPAC NameN-[(E)-[4-[2-[2-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]-N'-hydroxyoctanediamide
Molecular FormulaC37H45N9O10
Molecular Weight775.8
XLogP1
Topological Polar Surface Area245
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count23
Heavy Atom Count56
Formal Charge0
Complexity1360
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCC4=CN(N=N4)CCOCCOCCOC5=CC=C(C=C5)/C=N/NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C37H45N9O10/c47-31-15-14-30(35(50)40-31)46-36(51)28-6-5-7-29(34(28)37(46)52)38-23-26-24-45(44-41-26)16-17-54-18-19-55-20-21-56-27-12-10-25(11-13-27)22-39-42-32(48)8-3-1-2-4-9-33(49)43-53/h5-7,10-13,22,24,30,38,53H,1-4,8-9,14-21,23H2,(H,42,48)(H,43,49)(H,40,47,50)/b39-22+
InChIKey
MHILTYZXXFOWJH-WVKHYPTHSA-N
Chemical Structure
2D Structure
2D structure of HDAC6 degrader 9c
CAS: 2235382-05-3
CID: 145708078
Formula: C37H45N9O10
MW: 775.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight775.8
XLogP31
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count23
Exact Mass775.32893867
Monoisotopic Mass775.32893867
Topological Polar Surface Area245 Ų
Heavy Atom Count56
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes