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Cevipabulin - ≥98.0%, high purity , CAS No.849550-05-6

COA

Grade & Purity:

≥98%

Cas Number: 849550-05-6
Molecular Weight: 464.82
PubChem CID: 11488110

In stock

Item Number

C647369

Grouped product items
SKU	Size	Availability	Price
C647369-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$168.90
C647369-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$288.90
C647369-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$888.90
C647369-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,140.90

View related series

Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Cytoskeleton (498) Microtubule/Tubulin (199)

Basic Description

Synonyms	DB12533 \| P14M0DWS2J \| Cevipabulin \| SCHEMBL4042827 \| PS-6265 \| A12591 \| (S)-5-Chloro-6-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine \| Q27285989 \| Cevipabulin [INN] \| DTXSID00233997
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Cevipabulin (TTI-237) is an oral, microtubule-active antitumor compound and inhibits the binding of [ 3 H] vinblastine to tubulin, with an IC 50 of 18-40 nM for cytotoxicity in human tumor cell line.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Cevipabulin (TTI-237) is an oral, microtubule-active antitumor compound and inhibits the binding of [ 3 H] vinblastine to tubulin, with an IC 50 of 18-40 nM for cytotoxicity in human tumor cell line In Vitro Cevipabulin (0-50 nM, 72 hours) shows good activity (between 18 and 40 nM IC 50 values) on cell lines from ovarian, breast, prostate, and cervical tumors. Flow cytometry experiments reveal that, Cevipabulin (TTI-237) at low concentrations (20-40 nM) produces sub-G 1 nuclei and, at concentrations above 50 nM, it causes a strong G 2 -M block. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Cytotoxicity AssayCell Line: Human cancer cell lines (SK-OV-3, MDA-MB-435, MDA-MB-468, LnCaP, and Hela cells). Concentration: 0-50 nM Incubation Time: 72 hours Result: The IC 50 values are 24±8 nM, 21±4 nM, 18±6 nM, 22±7 nM and 40 nM in SK-OV-3, MDA-MB-435, MDA-MB-468, LnCaP and Hela cells. In Vivo Cevipabulin (TTI-2370)( 5, 10, 15, and 20 mg/kg, every 4 days for 4 cycles, in mice) is active by i.v. and p.o. administration against human tumor xenografts, showing dose-dependent effects, with good antitumor activity at 20 and 15 mg/kg . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Athymic nu/nu female mice implanted s.c. in the flank with 1×10 7 LoVo human colon adenocarcinoma cells Dosage: 5, 10, 15, and 20 mg/kg Administration: I.V. injection every 4 days for 4 cycles. Result: The compound showed dose-dependent effects, with good antitumor activity at 20 and 15 mg/kg. Animal Model: Athymic nu/nu female mice implanted s.c. in the flank with 1×10 6 U87-MG human glioblastoma cells . Dosage: 25 mg/kg Administration: P.O. or I.V. Result: The compound was active by p.o. or i.v. administration against human tumor xenografts. Form:Solid IC50& Target:IC50: 18-40 nM (microtubule in human tumor cells)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrimidines
Alternative Parents	Triazolopyrimidines Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Halopyrimidines Aryl chlorides Aryl fluorides Triazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	5-phenylpyrimidine - Triazolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Secondary amine - Ether - Secondary aliphatic amine - Azacycle - Organooxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Brain (1 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-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
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
Smiles	CC(C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F
Isomeric SMILES	C[C@@H](C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F
Alternate CAS	849550-05-6
PubChem CID	11488110
MeSH Entry Terms	5-chloro-6-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-N-(1,1,1-trifluoropropan-2-yl)-(1,2,4)triazolo(1,5-a)pyrimidin-7-amine;cevipabulin;CNDR-51533;CNDR-51657;TTI-237
Molecular Weight	464.82

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 16.67 mg/mL (35.86 mM; Need ultrasonic)
Molecular Weight	464.800 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	464.115 Da
Monoisotopic Mass	464.115 Da
Topological Polar Surface Area	76.400 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	566.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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