Chs-828

HCID 178512290
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기본 정보

CAS
200484-11-3
표준 SMILES
N#CNC(=Nc1ccncc1)NCCCCCCOc1ccc(Cl)cc1
InChIKey
BOIPLTNGIAPDBY-UHFFFAOYSA-N
분자식
C19H22ClN5O
평균 분자량
371.9 g/mol
단동위원소 질량
371.151288

이름 및 식별자

우선 이름
Chs-828
IUPAC
2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
영어명
CHS-828
분자식
C19H22ClN5O
분자량
371.86

이름 및 동의어

200484-11-3CHS-828CHS 828GMX-1778CHS8288LAP87DNSZRefChem:577082Pyridyl Cyanoguanidine CHS 828N-(6-(4-Chlorophenoxy)hexyl)-N'-Cyano-N''-4-Pyridylcyanoguanidine(Z)-N'-(6-(4-chlorophenoxy)hexyl)-N-cyano-N''-(pyridin-4-yl)guanidineGMX17782-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
이름 더 보기
MX1778HS-828GMX1778, >98%MX1778? CHS-828GMX1778(CHS-828)CHS-828 (GMX1778)CHS-828, 10 mM in DMSO
1-[6-(4-Chlorophenoxy)hexyl]-3-cyano-2-pyridin-4-ylguanidineGuanidine, N-[6-(4-chlorophenoxy)hexyl]-N'-cyano-N''-4-pyridinyl-GMX 1778MFCD03700766CHEMBL172891-(6-(4-chlorophenoxy)hexyl)-2-cyano-3-(pyridin-4-yl)guanidineUNII-8LAP87DNSZC19H22ClN5O

데이터베이스 식별자

CAS
200484-11-3
PubChem CID
148198

물성

구조 계산 물성

XLogP
4.3
극성 표면적
82.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
11
무거운 원자 수
26

물리화학적 성질

녹는점
166 · 166-168°C
끓는 점
532.1 · 532.1±58.0 °C(Predicted)
밀도
1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건
-20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도
20 mg/mL, · DMSO: 용해성20mg/mL, 투명
물리적 상태
가루

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk
3
risk_code
25-36/37/38
hazard_code
T
safety_code
26-45
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

개요CHS-828 is a pyridyl cyanoguanidine anti-tumor agent that has been identified as a competitive inhibitor of Nampt as well as an inhibitor of NF-κB pathway activity. CHS-828 has potent cytotoxic effects in human breast (IC50 = 7.3 nM) and lung cancer (IC50 = 0.5 nM) cells both in vitro and in vivo. In nude mice bearing human tumor xenografts, CHS-828, at 20-50 mg/kg/day, inhibits the growth of MCF-7 breast cancer tumors and induces regression of NYH small cell lung cancer tumors.

용도GMX1778 is an anticancer agent that inhibits cellular synthesis of NAD.

공급사84 곳

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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