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M133

CAT: 0931-T69883-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69883-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2127411-61-2
Target
Others, HDAC
Related Pathways
Others, Chromatin/Epigenetic, DNA Damage/DNA Repair
Bioactivity
M133 is a selective histone deacetylase HDAC1 and HDAC2 inhibitor and potent antitumor agent.
Smiles
C(NC1=C(N)C=CC=C1)(=O)C2=CC=C(CSC(N(CC=3C=CN=CC3)CC)=S)C=C2
Molecular Formula
C23H24N4OS2
Molecular Weight
436.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-ethyl-N-(pyridin-4-ylmethyl)carbamodithioate
CAS Number2127411-61-2
PubChem CID145978932
IUPAC Name[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-ethyl-N-(pyridin-4-ylmethyl)carbamodithioate
Molecular FormulaC23H24N4OS2
Molecular Weight436.6
XLogP3.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity547
SMILES
CCN(CC1=CC=NC=C1)C(=S)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N
InChI
InChI=1S/C23H24N4OS2/c1-2-27(15-17-11-13-25-14-12-17)23(29)30-16-18-7-9-19(10-8-18)22(28)26-21-6-4-3-5-20(21)24/h3-14H,2,15-16,24H2,1H3,(H,26,28)
InChIKey
FFGSLXUZHVBGFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-ethyl-N-(pyridin-4-ylmethyl)carbamodithioate
CAS: 2127411-61-2
CID: 145978932
Formula: C23H24N4OS2
MW: 436.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass436.13915375
Monoisotopic Mass436.13915375
Topological Polar Surface Area129 Ų
Heavy Atom Count30
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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