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Tirbanibulin Mesylate

CAT: 0931-T15675-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T15675-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1080645-95-9
Target
Microtubule Associated, Src
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Cytoskeletal Signaling
Purity
0.9942
Bioactivity
Tirbanibulin Mesylate (KX01 Mesylate) is an inhibitor of Src that targets the peptide substrate site of Src (GI50: 9-60 nM in cancer cell lines) .
Smiles
CS(O)(=O)=O.O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Molecular Formula
C27H33N3O6S
Molecular Weight
527.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tirbanibulin Mesylate
CAS Number1080645-95-9
PubChem CID25100013
IUPAC NameN-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;methanesulfonic acid
Molecular FormulaC27H33N3O6S
Molecular Weight527.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity633
SMILES
CS(=O)(=O)O.C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C26H29N3O3.CH4O3S/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29;1-5(2,3)4/h1-11,20H,12-19H2,(H,28,30);1H3,(H,2,3,4)
InChIKey
JGSYRKUPDSSTCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tirbanibulin Mesylate
CAS: 1080645-95-9
CID: 25100013
Formula: C27H33N3O6S
MW: 527.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass527.20900695
Monoisotopic Mass527.20900695
Topological Polar Surface Area126 Ų
Heavy Atom Count37
Formal Charge0
Complexity633
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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Alternative Products

CatalogName
564393Tirbanibulin mesylate
HY-10340B-01Tirbanibulin (Mesylate)
HY-10340BR-01Tirbanibulin (Mesylate) (Standard)
A21620-200Tirbanibulin Mesylate 200mg
A21620-50Tirbanibulin Mesylate 50mg
A21620-100Tirbanibulin Mesylate 100mg
A21620-5Tirbanibulin Mesylate 5mg
A21620-2Tirbanibulin Mesylate 2mg
A21620-25Tirbanibulin Mesylate 25mg
A21620-10Tirbanibulin Mesylate 10mg

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