기본 정보
- 표준 SMILES
CS(=O)(=O)CS(=O)(=O)OCCCl- InChIKey
SEHSPJCWCBQHPF-UHFFFAOYSA-N- 분자식
- C4H9ClO5S2
- 평균 분자량
- 236.7 g/mol
- 단동위원소 질량
- 235.95799307
개요
Clomesone is the 2-chloroethyl ester of (methylsulfonyl) methanesulfonic acid with potential antineoplastic effects. Acting as a chloroethylating agent, clomesone induces the formation of DNA interstrand crosslinks in some cell lines, and exhibits antitumor activity in some animal models. Alkylating agents exert cytotoxic and, in some cases, chemotherapeutic effects by transferring alkyl groups to DNA, thereby damaging DNA and interfering with DNA synthesis and cell division. (NCI04)
이름 및 식별자
- 우선 이름
- 2-Chloroethyl 1-(methylsulfonyl)methanesulfonate
- IUPAC
- 2-chloroethyl methylsulfonylmethanesulfonate
- 현지명
- 클로메손
- 영어명
- clomesone
- 분자식
- C4H9ClO5S2
- 분자량
- 236.695
이름 및 동의어
Clomesone88343-72-0Chlorethyl SOSO2-Chloroethyl (methylsulfonyl)methanesulfonateSRI 61552J031W0YZINSC338947DTXSID10236979NSC-33847clomesome2-CMSMSRefChem:577733
이름 더 보기
클로메손SRI-6155Clomesone, 10 mM in DMSOMethanesulfonic acid, 1-(methylsulfonyl)-, 2-chloroethyl ester
2-chloroethyl-(methylsulfonyl)methanesulfonateDTXCID901594702-Chloroethyl 1-(methylsulfonyl)methanesulfonate2-chloroethyl methanesulfonylmethanesulfonate2-chloroethyl methylsulfonylmethanesulfonateNSC 338947NSC-338947(Methylsulfonyl)methanesulfonic acid 2-chloroethyl ester
데이터베이스 식별자
- CAS
88343-72-0- PubChem CID
- 100651
- DTXSID
DTXSID10236979- ChEMBL
CHEMBL290487- UNII
- 2J031W0YZI
- Nikkaji
- J78.420F
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 94.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 304
실험 및 물리화학적 성질
Solubility
Water 4 (mg/mL)
Acetate buffer, pH 4 6 (mg/mL)
Carbonate buffer, pH 9 6 (mg/mL)
0.1 N HCl 4 (mg/mL)
0.1 N Naoh 15 (mg/mL)
Ethanol (95%) 18 (mg/mL)
Stability/Shelf LifeBulk: Clomesone is stable at room temperature in light or dark conditions but is unstable when stored at 50 °C in both light and dark conditions. Solution: The t90 of an aqueous solution is 207 minutes.
안전 및 규제
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
공급사6 곳
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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