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Home Halogens (2S)-2-amino-3-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)propanoic acid

(2S)-2-amino-3-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)propanoic acid

CAS No.:
1033805-28-5
Catalog Number:
AG008TJW
Molecular Formula:
C25H22ClF3N6O3
Molecular Weight:
546.9288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
98%
1 week
United States
$240
- +
5mg
98%
1 week
United States
$407
- +
10mg
98%
1 week
United States
$573
- +
Product Description
Catalog Number:
AG008TJW
Chemical Name:
(2S)-2-amino-3-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)propanoic acid
CAS Number:
1033805-28-5
Molecular Formula:
C25H22ClF3N6O3
Molecular Weight:
546.9288
MDL Number:
MFCD20528907
IUPAC Name:
(2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoic acid
InChI:
InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22+/m0/s1
InChI Key:
NCLGDOBQAWBXRA-PGRDOPGGSA-N
SMILES:
Nc1nc(cc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N)O[C@@H](C(F)(F)F)c1ccc(cc1n1ccc(n1)C)Cl
UNII:
381V4FCV2Z
Properties
Complexity:
790  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
546.139g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
546.935g/mol
Monoisotopic Mass:
546.139g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Telotristat ethyl: a new option for the management of carcinoid syndrome. Expert opinion on pharmacotherapy 20161201
Blocking peripheral serotonin synthesis by telotristat etiprate (LX1032/LX1606) reduces severity of both chemical- and infection-induced intestinal inflammation. American journal of physiology. Gastrointestinal and liver physiology 20150915
Telotristat etiprate, a novel serotonin synthesis inhibitor, in patients with carcinoid syndrome and diarrhea not adequately controlled by octreotide. Endocrine-related cancer 20141001
Pharmacological reduction of mucosal but not neuronal serotonin opposes inflammation in mouse intestine. Gut 20140601
Properties