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T-448

CAT: 0013-GTR19213354Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213354Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
T-448 (T448) is a specific inhibitor of LSD1 enzyme activity, enhances H3K4 methylation in primary cultured rat neurons but has little impact on LSD1-GFI1B complex in human TF-1a erythroblasts.
CAS Number
1597426-53-3
Purity
>98%
Smiles
C (NC1=NN=C (C) S1) (=O) C1=CC=CC ([C@H]2C[C@@H]2NC2CCC2) =C1.C (O) (=O) /C=C/C (O) =O
Molecular Formula
C21H24N4O5S
Molecular Weight
444.506
Notes
For research use only.

Chemical Information

(E)-But-2-enedioic acid;3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CAS Number1597426-53-3
PubChem CID137796965
IUPAC Name(E)-but-2-enedioic acid;3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
Molecular FormulaC21H24N4O5S
Molecular Weight444.5
Topological Polar Surface Area170
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity563
SMILES
CC1=NN=C(S1)NC(=O)C2=CC=CC(=C2)[C@H]3C[C@@H]3NC4CCC4.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C17H20N4OS.C4H4O4/c1-10-20-21-17(23-10)19-16(22)12-5-2-4-11(8-12)14-9-15(14)18-13-6-3-7-13;5-3(6)1-2-4(7)8/h2,4-5,8,13-15,18H,3,6-7,9H2,1H3,(H,19,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,15+;/m1./s1
InChIKey
BNLKYWVPJPFTMA-YWNVCFPDSA-N
Chemical Structure
2D Structure
2D structure of (E)-But-2-enedioic acid;3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CAS: 1597426-53-3
CID: 137796965
Formula: C21H24N4O5S
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass444.14674105
Monoisotopic Mass444.14674105
Topological Polar Surface Area170 Ų
Heavy Atom Count31
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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