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HA15

CAT: 0127-BUP03190-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03190-02Size:10 mg
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CAS Number
1609402-14-3
Purity
=98%
Smiles
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)-c1csc(NC(C)=O)n1

Chemical Information

acetamide, N-(4-(3-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)phenyl)-2-thiazolyl)-

HA15 is a sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(dimethylamino)naphthalene-1-sulfonic acid with the aniline nitrogen of 3-(2-acetamido-1,3-thiazol-4-yl)aniline. It has been reported that by triggering an endoplasmic reticulum (ER) stress response, HA15 can reduce the viability of melanoma cells without being toxic to normal cells. It has a role as an antineoplastic agent. It is a member of acetamides, a sulfonamide, an aminonaphthalene, a member of 1,3-thiazoles, a tertiary amino compound and a biaryl.

CAS Number1609402-14-3
PubChem CID73890923
IUPAC NameN-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
Molecular FormulaC23H22N4O3S2
Molecular Weight466.6
XLogP4
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity757
SMILES
CC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C
InChI
InChI=1S/C23H22N4O3S2/c1-15(28)24-23-25-20(14-31-23)16-7-4-8-17(13-16)26-32(29,30)22-12-6-9-18-19(22)10-5-11-21(18)27(2)3/h4-14,26H,1-3H3,(H,24,25,28)
InChIKey
LBSMEKVVMYSTIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of acetamide, N-(4-(3-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)phenyl)-2-thiazolyl)-
CAS: 1609402-14-3
CID: 73890923
Formula: C23H22N4O3S2
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass466.11333292
Monoisotopic Mass466.11333292
Topological Polar Surface Area128 Ų
Heavy Atom Count32
Formal Charge0
Complexity757
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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