H2420403计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
有货
为什么选择此级别
，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
2-8°C储存,避光。低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 580 篇同行评审文献引用。
概述
应用：
校准仪器和装置；评价方法；工作标准；质量保证/质量控制
使用注意事项：
在室温下放置温度平衡，开瓶后只做一次性使用。
规格
别名
胆固醇纯度标准物质,胆甾醇,胆甾醇烷异辛甾烯醇,胆固烯醇,胆脂醇,胆脂素,胆脂素醇
英文别名
3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Cholesterol,(S) | 20-epi-cholesterol | AI3-03112 | 3beta-cholest-5-en-3-ol | 5-Cholesten-3ss--ol | 5:6-Cholesten-3-ol | Lidinit | 3.beta.-Hydr
规格或纯度
200μg/mL ，U=2.0-4.0%，k=2
英文名称
Cholesterol in Methanol
储存条件
2-8°C储存,避光
运输条件
低温运输
名称和识别符
PubChem SID
EC号
200-353-2
分子类型
小分子
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
INCHI
1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChi Key
HVYWMOMLDIMFJA-DPAQBDIFSA-N
Smiles
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Isomeric SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
分子量
386.65
Beilstein号
1915888
Reaxy-Rn
2060565
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2060565&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
-
界（kingdom)
有机化合物
-
超类（Superclass)
脂质和脂质样分子
-
类（Class)
类固醇和类固醇衍生物
- 亚类（Subclass） 胆甾烷类固醇
-
类（Class)
类固醇和类固醇衍生物
-
超类（Superclass)
脂质和脂质样分子
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 脂质和脂质样分子 |
| 类（Class) | 类固醇和类固醇衍生物 |
| 亚类（Subclass） | 胆甾烷类固醇 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 胆固醇及其衍生物 |
| 其他上位类（Alternative Parents） | 3-β-羟基类固醇 3-β-羟基δ-5-类固醇 Delta-5-类固醇 仲醇 环状醇及其衍生物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 脂肪族同多环化合物 |
| 取代基（Substituents） | 3-β-羟基-δ-5-甾体 - 3-β-羟基类固醇 - 3-羟基-δ-5-甾体 - 3-羟基-4-烷基-10-羟基- - 羟基苯甲酸酯 - 脂肪族同多环化合物 - 胆固醇 - 胆固醇骨架 - 环醇 - Delta-5-类固醇 - 烃衍生物 - 羟基吡啶 - 有机氧化合物 - 有机氧化合物 - 醛基 |
| 描述（Description） | 该化合物属于胆固醇及其衍生物类有机化合物。这类化合物具有3-羟基胆烷骨架结构。 |
| 外部描述符（External Descriptors） | Cholesterol and derivatives |
三维结构
交互式化学结构模型
关联靶点（人）
CYP46A1
Tchem
胆固醇24-羟化酶(Cholesterol 24-hydroxylase)
(2 活性数据)
RORC
Tchem
核受体ROR-gamma(Nuclear receptor ROR-gamma)
(1 活性数据)
NR3C1
Tclin
Glucocorticoid receptor
(14987 活性数据)
CYP11A1
Tclin
Cytochrome P450 11A1
(1 活性数据)
POLA1
Tclin
DNA polymerase alpha subunit
(225 活性数据)
AR
Tclin
Androgen Receptor
(11781 活性数据)
NPC1L1
Tclin
Niemann-Pick C1-like protein 1
(346 活性数据)
POLB
Tchem
DNA polymerase beta
(23632 活性数据)
NR1H3
Tchem
LXR-alpha
(2891 活性数据)
CCRF-CEM
(65223 活性数据)
HL-60
(67320 活性数据)
HT-29
(80576 活性数据)
MCF7
(126967 活性数据)
SH-SY5Y
(11521 活性数据)
SW480
(6023 活性数据)
U-937
(7138 活性数据)
A549
(127892 活性数据)
BJ
(6930 活性数据)
T47D
(39041 活性数据)
NCI-H69
(709 活性数据)
HCT-116
(91556 活性数据)
KB
(17409 活性数据)
HeLa
(62764 活性数据)
MDA-MB-231
(73002 活性数据)
SMMC-7721
(5516 活性数据)
ABCG2
Tchem
ATP-binding cassette sub-family G member 2
(4927 活性数据)
SNCA
Tchem
Alpha-synuclein
(10960 活性数据)
LMNA
Tbio
Prelamin-A/C
(36751 活性数据)
SLCO1B1
Tchem
Solute carrier organic anion transporter family member 1B1
(2672 活性数据)
SLCO1B3
Tchem
Solute carrier organic anion transporter family member 1B3
(2517 活性数据)
SULT2B1
Tbio
Sulfotransferase family cytosolic 2B member 1
(4 活性数据)
IDH1
Tclin
Isocitrate dehydrogenase [NADP] cytoplasmic
(40980 活性数据)
CYP46A1
Tchem
Cholesterol 24-hydroxylase
(289 活性数据)
关联靶点（其它种属）
ERG11
Cytochrome P450 51 (617 活性数据)
Ppard
Peroxisome proliferator-activated receptor delta (358 活性数据)
Abcb1b
P-glycoprotein 1 (174 活性数据)
Top2
DNA topoisomerase II (15 活性数据)
Salmonella typhimurium (15756 活性数据)
Staphylococcus aureus (210822 活性数据)
Escherichia coli (133304 活性数据)
Streptococcus pyogenes (16140 活性数据)
Bacillus sp. (164 活性数据)
Mycobacterium tuberculosis (203094 活性数据)
Cutibacterium acnes (887 活性数据)
Rattus norvegicus (775804 活性数据)
P19 (309 活性数据)
Vero (26788 活性数据)
C2C12 (756 活性数据)
cyp125
Putative cytochrome P450 125 (56 活性数据)
env
Envelope glycoprotein (1 活性数据)
Phytophthora cactorum (113 活性数据)
Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 活性数据)
Brucella pseudogrignonensis (43 活性数据)
Rorc
Nuclear receptor ROR-gamma (89407 活性数据)
Scn2a
Sodium channel alpha subunits; brain (Types I, II, III) (344 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
比旋光度
-37 ° (C=2, Dioxane)
沸点
360°C
熔点
148.5°C
分子量
386.700 g/mol
XLogP3
8.700
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
1
可旋转键计数Rotatable Bond Count
5
精确质量Exact Mass
386.355 Da
单同位素质量Monoisotopic Mass
386.355 Da
拓扑极表面积Topological Polar Surface Area
20.200 Ų
重原子数Heavy Atom Count
28
形式电荷Formal Charge
0
复杂度Complexity
591.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
8
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
信号词
危险
危险声明
H225: 高度易燃的液体和蒸气
H370: 对器官造成损害
H301+H311+H331: 吞咽、皮肤接触或吸入中毒。
预防措施声明
P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。
P233: 保持容器密闭。
P240: 地面/粘结容器和接收设备
P241: 使用防爆的[电气/通风/照明/.../]设备。
P242: 仅使用无火花的工具。
P243: 采取防静电措施
P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。
P264: 处理后要彻底洗手。
P270: 使用本产品时，请勿进食、饮水或吸烟。
P271: 仅在室外或通风良好的地方使用。
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P330: 漱口
P301+P310: 如误吞咽：立即呼叫急救中心/医生。
P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。
P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。
P308+P311: 如接触到或有疑虑：呼叫急救中心/医生。
P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。
P405: 密闭存放
P403+P233: 存放在通风良好的地方。保持容器密闭。
P403+P235: 存放在通风良好的地方。保持低温。
P501: 将内容物/容器处理到。。。
WGK Germany
1
RTECS
FZ8400000
Merck Index
2201
个人防护装备
Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter
质检证书（CoA,COO,BSE/TSE 和分析图谱)
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此产品的引用文献
溶液计算器
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
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危险品化学品经营许可证（带存储）