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Home Aminos 5-Chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-((1S)-2,2,2-trifluoro-1-methylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-Chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-((1S)-2,2,2-trifluoro-1-methylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

CAS No.:
849550-05-6
Catalog Number:
AG00G3QW
Molecular Formula:
C18H18ClF5N6O
Molecular Weight:
464.8201
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$290
- +
10mg
99%
1 week
United States
$457
- +
50mg
99%
1 week
United States
$1290
- +
100mg
99%
1 week
United States
$1640
- +
Product Description
Catalog Number:
AG00G3QW
Chemical Name:
5-Chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-((1S)-2,2,2-trifluoro-1-methylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CAS Number:
849550-05-6
Molecular Formula:
C18H18ClF5N6O
Molecular Weight:
464.8201
MDL Number:
MFCD09832720
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
InChI Key:
ZUZPCOQWSYNWLU-VIFPVBQESA-N
SMILES:
CNCCCOc1cc(F)c(c(c1)F)c1c(Cl)nc2n(c1N[C@H](C(F)(F)F)C)ncn2
UNII:
P14M0DWS2J
Properties
Complexity:
566  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
464.115g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
464.825g/mol
Monoisotopic Mass:
464.115g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
A phase I dose escalation study of TTI-237 in patients with advanced malignant solid tumors. Investigational new drugs 20120201
The microtubule-active antitumor compound TTI-237 has both paclitaxel-like and vincristine-like properties. Cancer chemotherapy and pharmacology 20090901
Cevipabulin (TTI-237): preclinical and clinical results for a novel antimicrotubule agent. Methods and findings in experimental and clinical pharmacology 20090901
TTI-237: a novel microtubule-active compound with in vivo antitumor activity. Cancer research 20080401
2-cyanoaminopyrimidines as a class of antitumor agents that promote tubulin polymerization. Bioorganic & medicinal chemistry letters 20070601
Properties