5-(4-페녹시부톡시)PSALEN

Pap-1

HCID 11302540

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 870653-45-5
표준 SMILES: O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1
InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N
분자식: C21H18O5
평균 분자량: 350.4 g/mol
단동위원소 질량: 350.11542367

이름 및 식별자

우선 이름: Pap-1
IUPAC: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
현지명: 5-(4-페녹시부톡시)PSALEN
영어명: 5-(4-Phenoxybutoxy)psoralen
분자식: C21H18O5
분자량: 350.36

이름 및 동의어

5-(4-Phenoxybutoxy)psoralen870653-45-5PAP-1A62C114Q0Q7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(4-phenoxybutoxy)-7H-Furo[3,2-g][1]benzopyran-7-one, 4-(4-phenoxybutoxy)-DTXSID804617764-[4-(phenoxy)butoxy]furo[3,2-g]chromen-7-one4-(4-(phenoxy)butoxy)furo(3,2-g)chromen-7-oneRefChem:858506DTXCID70412595635-565-8

이름 더 보기

5-(4-페녹시부톡시)PSALEN7H-Furo[3PAP-1 ，E03784-(4-phenoxybutoxy)-PAP-1, 10 mM in DMSO2-g][1]benzopyran-7-onePAP1PAP-1,5-(4-Phenoxybutoxy)psoralen

4-(4-phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-oneMFCD11114059CHEMBL4444495-(4-Phenoxybutoxy)psoralen;4-(4-Phenoxybutoxy)-7H-furo[3,2-g]chromen-7-oneSPS-4251UNII-A62C114Q0Q5-(4-phenoxybutoxy) psoralen

데이터베이스 식별자

CAS: 870653-45-5
PubChem CID: 11302540
DTXSID: DTXSID80461776
ChEMBL: CHEMBL444449
UNII: A62C114Q0Q
EC Number: 635-565-8
Nikkaji: J3.806.930F

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 57.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 26
형식 전하: 0
복잡도: 499

물리화학적 성질

끓는 점: 555.8 · 555.8±50.0 °C(Predicted)
밀도: 1.269 · 1.269
저장 조건: 2 · 2-8°C
용해도: 9 mg/mL · DMSO: 9mg/mL
물리적 상태: 고체
색상: 하얀색
InChI: 1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N
SMILES: O=C1Oc2cc3occc3c(OCCCCOc4ccccc4)c2C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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 CategoriesResp. Sens. 1 (100%)

안전 데이터

wgk: 3
risk_code: 42/43
safety_code: 22-36/37-45
Hazard Classifications: Resp. Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-(4-Phenoxybutoxy)psoralen (CAS# 870653-45-5) is a selective small molecule blocker of the lymphocyte K+ channel Kv1.3 and is used for the suppression of effector memory T cells in autoimmune diseases.

상·하류 제품 정보

상류 원료

공급사80 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [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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