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ジブロモズルシトール

Mitolactol

HCID 5284380
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基本情報

CAS
10318-26-0
標準SMILES
O[C@H]([C@H](O)[C@@H](O)CBr)[C@H](O)CBr
InChIKey
VFKZTMPDYBFSTM-GUCUJZIJSA-N
分子式
C6H12Br2O4
平均分子量
307.96 g/mol
単同位体質量
305.91023

概要

Dibromodulcitol is a white powder. Insoluble in water. (NTP, 1992)

名称と識別子

優先名称
Mitolactol
IUPAC
(2R,3S,4R,5S)-1,6-dibromohexane-2,3,4,5-tetrol
現地名
ジブロモズルシトール
英語名
Dibromodulcitol
分子式
C6H12Br2O4
分子量
307.96

名称と別名

MitolactolDIBROMODULCITOLElobromolDibromdulcit10318-26-01,6-Dibromo-1,6-dideoxy-D-galactitolDBD (alcohol)Mitolactolum1,6-DibromodideoxydulcitolNSC-104800NCI-C04795Dibromdulcitol
名称をさらに表示
ジブロモズルシトール1,6-ジブロモズルシトール1,6-ジブロモ-1,6-ジデオキシ-D-ガラクチトールジブロモズルシット1,6-ジブロモジデオキシズルシトールエロブロモール(2R,3S,4R,5S)-1,6-ジブロモヘキサン-2,3,4,5-テトラオールNSC1048001,6-Dibromodulcitol1,6-dibromo-1,6-dideoxygalactitol
(2R,3S,4R,5S)-1,6-dibromohexane-2,3,4,5-tetrolGalactitol, 1,6-dibromo-1,6-dideoxy-1,6-Dibromo-1,6-dideoxydulcitolLJ2P1SIK8YNSC 104800DTXSID8020414DibromdicilMitolac

データベース識別子

CAS
10318-26-0
PubChem CID
5284380
DTXSID
DTXSID8020414
ChEMBL
CHEMBL2104612
ChEBI
CHEBI:135311
UNII
LJ2P1SIK8Y
Nikkaji
J10.476K

物性

構造計算による物性

XLogP
-0.3
極性表面積
80.9 Ų
水素結合供与体数
4
水素結合受容体数
4
回転可能結合数
5
重原子数
12
形式電荷
0
複雑度
110

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesCrystal structure
SolubilityInsoluble (<1 mg/ml) (NTP, 1992)
Physical DescriptionDibromodulcitol is a white powder. Insoluble in water. (NTP, 1992)

物理化学的性質

融点
187 · 187-188° (dec)
沸点
511.2 · 511.2±50.0 °C(Predicted)
比重(密度)
1.8987 · 1.8987 (rough estimate)
屈折率
1.484 · 1.4840 (estimate)
酸解離定数(Pka)
12.61 · 12.61±0.20(Predicted)
CAS データベース
10318 · 10318-26-0
EPAの化学物質情報
Mitolactol (10318-26-0)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Fire HazardsData is not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is toxic when ingested. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 件

A halogenated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Air and Water ReactionsInsoluble in water.

安全と保護具

Fire FightingFire involving this compound should be controlled with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

毒性
LD50 in rats (mg/kg): 1400 orally; 470 i.p. (Kellner)

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)

応用分野 · 2 件

使用1,6-Dibromodulcitol is an intermediate in the synthesis of Dulcitol Diepoxide (D720515). Dulcitol Diepoxide is a cytostatic drug. Dulcitol Diepoxide can be used for treatment of leukemia, lung cancer, multiple myeloma, and nasopharyngeal carcinoma.

一般的な説明White powder. Insoluble in water.

上流・下流製品情報

上流原料

ミトブロニトールD-マンニトール

サプライヤー5 社

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]

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