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T-1101 tosylate

CAT: 1410-M21658-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M21658-01Size:2 mg
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Description
T-1101 tosylate is an inhibitor of Hec1/Nek2 with antitumor activity.
CAS Number
2250404-95-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
665.8
Molecular Formula
C31H31N5O6S3
Notes
Research use only, not for human use.
Receptor
Hec1

Chemical Information

T-1101 tosylate
CAS Number2250404-95-4
PubChem CID71586372
IUPAC NameN-[4-[4-[5-(2-methoxyethoxy)pyrazin-2-yl]sulfanyl-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;4-methylbenzenesulfonic acid
Molecular FormulaC31H31N5O6S3
Molecular Weight665.8
Topological Polar Surface Area215
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count45
Formal Charge0
Complexity836
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC(=C1C2=CSC(=N2)NC(=O)C3=CC=NC=C3)C)SC4=NC=C(N=C4)OCCOC
InChI
InChI=1S/C24H23N5O3S2.C7H8O3S/c1-15-10-18(34-21-13-26-20(12-27-21)32-9-8-31-3)11-16(2)22(15)19-14-33-24(28-19)29-23(30)17-4-6-25-7-5-17;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,10-14H,8-9H2,1-3H3,(H,28,29,30);2-5H,1H3,(H,8,9,10)
InChIKey
OUJWEAVKLYQREM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of T-1101 tosylate
CAS: 2250404-95-4
CID: 71586372
Formula: C31H31N5O6S3
MW: 665.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight665.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass665.14364725
Monoisotopic Mass665.14364725
Topological Polar Surface Area215 Ų
Heavy Atom Count45
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-120356S1T-1101-d7
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