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Cevipabulin

CAT: 0804-HY-14949-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14949-01Size:5 mg
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Description
Cevipabulin (TTI-237) is an oral, microtubule-active antitumor compound and inhibits the binding of [3H] vinblastine to tubulin, with an IC50 of 18-40 nM for cytotoxicity in human tumor cell line[1][2].
CAS Number
849550-05-6
Product Name Alternative
TTI-237
UNSPSC
12352005
Hazard Statement
H302
Target
Microtubule/Tubulin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Cevipabulin.html
Purity
99.86
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@@]([H])(C(F)(F)F)NC1=C(C2=C(F)C=C(OCCCNC)C=C2F)C(Cl)=NC3=NC=NN13
Molecular Formula
C18H18ClF5N6O
Molecular Weight
464.82
Precautions
H302
References & Citations
[1]Beyer CF, et al. TTI-237: a novel microtubule-active compound with in vivo antitumor activity. Cancer Res. 2008 Apr 1;68 (7) :2292-300.|[2]Beyer CF, et al. The microtubule-active antitumor compound TTI-237 has both paclitaxel-like and vincristine-like properties. Cancer Chemother Pharmacol. 2009 Sep;64 (4) :681-9.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Cevipabulin

Cevipabulin has been used in trials studying the treatment and educational/counseling/training of Tumors and Neoplasms.

CAS Number849550-05-6
PubChem CID11488110
IUPAC Name5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Molecular FormulaC18H18ClF5N6O
Molecular Weight464.8
XLogP4.6
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity566
SMILES
C[C@@H](C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F
InChI
InChI=1S/C18H18ClF5N6O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2/h6-9,25,28H,3-5H2,1-2H3/t9-/m0/s1
InChIKey
ZUZPCOQWSYNWLU-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Cevipabulin
CAS: 849550-05-6
CID: 11488110
Formula: C18H18ClF5N6O
MW: 464.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.8
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass464.1150777
Monoisotopic Mass464.1150777
Topological Polar Surface Area76.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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