CAS 923288-90-8 Nilotinib Hydrochloride Monohydrate (HCID 16757572)

개요

Nilotinib Hydrochloride Monohydrate is the monohydrate monohydrochloride form of nilotinib, an orally bioavailable aminopyrimidine-derivative Bcr-Abl tyrosine kinase inhibitor with antineoplastic activity. Designed to overcome imatinib resistance resulting from Bcr-Abl kinase mutations, upon administration, nilotinib binds to and stabilizes the inactive conformation of the kinase domain of the Abl portion of the Bcr-Abl fusion protein, resulting in the inhibition of the constitutive kinase activity of Bcr-Abl protein. This inhibits the Bcr-Abl-mediated proliferation of Philadelphia chromosome-positive (Ph+) chronic myeloid leukemia (CML) cells. Nilotinib also inhibits the receptor tyrosine kinases platelet-derived growth factor receptor (PDGF-R; PDGFR), mast/stem cell growth factor receptor Kit (c-Kit), and, to a lesser extent, colony-stimulating factor 1 receptor (CSF-1R; CSF1R), and discoidin domain-containing receptor 1 (DDR1).

이름 및 식별자

우선 이름: Nilotinib Hydrochloride Monohydrate
IUPAC: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;hydrate;hydrochloride
현지명: Nilotinibhcl일수화물
영어명: Nilotinib Hydrochloride Monohydrate
분자식: C28H25ClF3N7O2
분자량: 583.9920096

이름 및 동의어

923288-90-8Nilotinib hydrochloride monohydrateNilotinib monohydrochloride monohydrateNilotinib hydrochloride hydrate5JHU0N1R6KNilotinib hydrochloride hydrate [JAN]Nilotinib hydrochloride monohydrate [Orange Book]DTXSID00238967Nilotinib hydrochloride hydrate (JAN)NILOTINIB HYDROCHLORIDE MONOHYDRATE [MI]Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-, hydrochloride, hydrate (1:1:1)NILOTINIB HYDROCHLORIDE MONOHYDRATE [EP MONOGRAPH]

이름 더 보기

Nilotinibhcl일수화물Nilotinib HClNilotinib HCl HydrateNilotinib monohydrateNilotinib hcl monohydrate4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide hydrochloride hydrateNILOTINIBTASIGNANilotinib HCl 98.5%AMN-107AMN107TASIGNA

NILOTINIB HYDROCHLORIDE MONOHYDRATE (EP MONOGRAPH)4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-benzamide, Monohydrochloride4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide monohydrochloride monohydrate4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzamide, Monohydrochloride4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide monohydrochloride monohydrateBenzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, hydrochloride, hydrate (1:1:1)RefChem:854151DTXCID50161458

데이터베이스 식별자

CAS: 923288-90-8
PubChem CID: 16757572
DTXSID: DTXSID00238967
ChEMBL: CHEMBL1201740
UNII: 5JHU0N1R6K
EC Number: 692-062-6

물성

구조 계산 물성

극성 표면적: 98.6 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 10
회전 가능 결합 수: 6
무거운 원자 수: 41
형식 전하: 0
복잡도: 817

물리화학적 성질

녹는점: 198 · 198-201°C
저장 조건: -20 °C · -20°C Freezer
용해도: Aqueous Acid (Slightly), DMSO (Slightly), Ethanol (Slightly, Heated)
물리적 상태: 고체
색상: 미색부터 페일 베이지까지
InChIKey: YCBPQSYLYYBPDW-UHFFFAOYSA-N
SMILES: N1(C=C(N=C1)C)C1C=C(C=C(C=1)NC(=O)C1C=CC(=C(NC2=NC=CC(C3=CC=CN=C3)=N2)C=1)C)C(F)(F)F.Cl.O

화학적 성질 · 1건

Nilotinib hydrochloride monohydrate (NHM) lacks a chiral center, making it incapable of tautomerism. NHM is a chemical compound with the following name: 4-methyl-N-[3-(4-methyl-1H-imidazol1-yl)-5-(trifuoromethyl) phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl) amino] benzamide hydrochloride monohydrate. It is a white powder with a slight yellowish or greenish-yellowish shade. At 25 °C, the aqueous solubility of NHM markedly decreases with pH. Moreover, it is almost insoluble in bufer solutions with pH values higher than 4.5. NHM shows slight solubility in ethanol and methanol. Nilotinib Hydrochloride Monohydrate is the monohydrate monohydrochloride form of nilotinib, an orally bioavailable aminopyrimidine-derivative Bcr-Abl tyrosine kinase inhibitor with antineoplastic activity.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (75%)

안전 데이터

wgk: WGK 3
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Repr. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationProtein kinase inhibitors that inhibit TYROSINE PROTEIN KINASES.

응용 분야

용도Nilotinib Monohydrochloride Monohydrate might be useful in treatment of chronic myelogenous leukemia. It is a COVID19-related research product.

상·하류 제품 정보

상류 원료

닐로티닙

공급사100 곳

湖北万得化工有限公司15377098680 15377098680 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

武汉灵灵九生物科技有限公司15623309010

추가 설명 · 1건

정의Nilotinib, also known as AMN107, is a tyrosine kinase inhibitor under investigation as a possible treatment for chronic myelogenous leukemia (CML). A Phase I clinical trial in 2006 showed that this drug was relatively safe and offered significant therapeutic benefits in cases of CML which were found to be resistant to treatment with imatinib (Gleevec), another tyrosine kinase inhibitor used as a first-line treatment for CML.