| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| T171759-100mg |
100mg |
期货  |
|
| 英文别名 | GTPL9490 | 1033805-22-9 | BDBM445704 | LX-1606 Hippurate | BCP9000866 | J-524318 | AS-35061 | LX1032 | LX-1032 | D09974 | DTXSID001102271 | (2S,5R,6R)-6-(((3-(2-chlorophenyl)-5-methylisoxazol-4-yl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2 |
|---|---|
| 规格或纯度 | Moligand™, ≥97% |
| 英文名称 | Telotristat |
| 储存温度 | 室温 |
| 运输条件 | 常规运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | 色氨酸 5-羟化酶抑制剂 |
| 纯度 | ≥97% |
| ALogP | 5.1 |
|---|
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | ethyl (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]propanoate |
| INCHI | 1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1 |
| InChi Key | MDSQOJYHHZBZKA-GBXCKJPGSA-N |
| Smiles | CCOC(=O)C(CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)OC(C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N |
| Isomeric SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)O[C@H](C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N |
| PubChem CID | 25181577 |
| 分子量 | 574.99 |
| 分子量 | 575.000 g/mol |
|---|---|
| XLogP3 | 5.100 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 11 |
| 可旋转键计数Rotatable Bond Count | 10 |
| 精确质量Exact Mass | 574.171 Da |
| 单同位素质量Monoisotopic Mass | 574.171 Da |
| 拓扑极表面积Topological Polar Surface Area | 131.000 Ų |
| 重原子数Heavy Atom Count | 40 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 821.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 2 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 1. Kulke MH, Hörsch D, Caplin ME, Anthony LB, Bergsland E, Öberg K, Welin S, Warner RR, Lombard-Bohas C, Kunz PL et al.. (2017) Telotristat Ethyl, a Tryptophan Hydroxylase Inhibitor for the Treatment of Carcinoid Syndrome.. J Clin Oncol, 35 (1): (14-23). [PMID:27918724] |
| 2. Margolis KG, Stevanovic K, Li Z, Yang QM, Oravecz T, Zambrowicz B, Jhaver KG, Diacou A, Gershon MD. (2014) Pharmacological reduction of mucosal but not neuronal serotonin opposes inflammation in mouse intestine.. Gut, 63 (6): (928-37). [PMID:23749550] |
| 3. Lamarca A, Barriuso J, McNamara MG, Hubner RA, Valle JW. (2016) Telotristat ethyl: a new option for the management of carcinoid syndrome.. Expert Opin Pharmacother, 17 (18): (2487-2498). [PMID:27817224] |
| 4. Kim JJ, Wang H, Terc JD, Zambrowicz B, Yang QM, Khan WI. (2015) Blocking peripheral serotonin synthesis by telotristat etiprate (LX1032/LX1606) reduces severity of both chemical- and infection-induced intestinal inflammation.. Am J Physiol Gastrointest Liver Physiol, 309 (6): (G455-65). [PMID:26206858] |
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