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Ch282-5

CAT: 0931-T200076-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T200076-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65891-87-4
Target
Apoptosis, Bcl-2 Family, Autophagy
Related Pathways
Apoptosis, Autophagy
Bioactivity
Ch282-5, an orally active inhibitor targeting the Bcl-2 protein, promotes mitochondria-dependent apoptosis (Apoptosis) by disrupting mitophagy and the mTOR pathway. It demonstrates antiproliferative effects on colorectal cancer cells, effective both in vitro and in vivo, while also inhibiting metastasis. Further, Ch282-5 augments Oxaliplatin-induced autophagy (Autophagy) by downregulating Mcl-1 protein and raising platelet count, which helps mitigate the adverse effects of Navitoclax.
Smiles
O=C1C2=C(C(C(C)=C1C(C(C3=C4C(C(C)C)=C(O)C(O)=C3C=NCCS(=O)([O-])=O)=O)=C(C)C4=O)=O)C(C(C)C)=C(O)C(O)=C2C=NCCS(=O)([O-])=O.[Na+].[Na+]
Molecular Formula
C34H34N2Na2O14S2
Molecular Weight
804.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Disodium;2-[[6-methyl-2,3,5,8-tetraoxo-4-propan-2-yl-7-[1,4,6,7-tetrahydroxy-3-methyl-5-propan-2-yl-8-(2-sulfonatoethyliminomethyl)naphthalen-2-yl]naphthalen-1-yl]methylideneamino]ethanesulfonate
CAS Number65891-87-4
PubChem CID172652567
IUPAC Namedisodium;2-[[6-methyl-2,3,5,8-tetraoxo-4-propan-2-yl-7-[1,4,6,7-tetrahydroxy-3-methyl-5-propan-2-yl-8-(2-sulfonatoethyliminomethyl)naphthalen-2-yl]naphthalen-1-yl]methylideneamino]ethanesulfonate
Molecular FormulaC34H34N2Na2O14S2
Molecular Weight804.8
Topological Polar Surface Area305
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Heavy Atom Count54
Formal Charge0
Complexity1870
SMILES
CC1=C(C(=C2C(=C(C(=C(C2=C1O)C(C)C)O)O)C=NCCS(=O)(=O)[O-])O)C3=C(C(=O)C4=C(C(=O)C(=O)C(=C4C3=O)C=NCCS(=O)(=O)[O-])C(C)C)C.[Na+].[Na+]
InChI
InChI=1S/C34H36N2O14S2.2Na/c1-13(2)19-25-23(17(29(39)33(19)43)11-35-7-9-51(45,46)47)31(41)21(15(5)27(25)37)22-16(6)28(38)26-20(14(3)4)34(44)30(40)18(24(26)32(22)42)12-36-8-10-52(48,49)50;;/h11-14,37,39,41,43H,7-10H2,1-6H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
InChIKey
UBBIZPCSSKTJTA-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Disodium;2-[[6-methyl-2,3,5,8-tetraoxo-4-propan-2-yl-7-[1,4,6,7-tetrahydroxy-3-methyl-5-propan-2-yl-8-(2-sulfonatoethyliminomethyl)naphthalen-2-yl]naphthalen-1-yl]methylideneamino]ethanesulfonate
CAS: 65891-87-4
CID: 172652567
Formula: C34H34N2Na2O14S2
MW: 804.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight804.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Exact Mass804.12468467
Monoisotopic Mass804.12468467
Topological Polar Surface Area305 Ų
Heavy Atom Count54
Formal Charge0
Complexity1870
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-164468Ch282-5
sc-2627255,5,5-Trifluorovaleronitrile
234404-015,5,5-Trifluoronorvaline
AKA25347-015,5,5-Trifluoropentanal
PDA866615,5,5-Trifluoropentanonitrile
JH2382995,5,5-trifluoroleucine
TRC-F632600-2.5GN-Fmoc-5,5,5,5',5',5'-Hexafluoro-L-leucine
OR1058406-015,5',5'',5'''-Methanetetrayltetrakis (2-hydroxybenzaldehyde)
PC4455-015,5,5-Trifluoropentanoic acid
459053N-Fmoc-5,5,5,5',5',5'-Hexafluoro-L-leucine discontinued

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