体外活性：Hexestrol 与 ERα 结合，EC50 为 0.07 nM，与 ERβ 结合，EC50 为 0.175 nM。 Hexestrol 抑制 AKR1B13 的活性，IC50 为 3.2 μM。 Hexestrol 抑制嗜热菌醛糖 1-脱氢酶的 d-半乳糖脱氢酶活性，IC50 为 0.063 mM。 Hexestrol 可抑制 AKR1C20 对 10 μM 4-androsten-3α-o1-17-one 的脱氢酶活性，IC50 值为 2.7 μM。 Hexestrol 抑制 17HSD5，IC50 为 30 μM，抑制 TBER1，IC50 为 0.8 μM。 Hexestrol 通过儿茶酚醌与 DNA 发生反应，因此可能是一种致癌物质。

3 mg/kg 的己雌醇（3 和 6 mg/kg；腹膜内注射，每天一次，持续 30 天）对小鼠卵巢没有明显影响[2]。

Animal/Disease Models: Mus musculus (90-120 days, 25 -50 g)[2]
Doses: 3, 6 mg/kg (adopted the same dose used to increase weight gain in cattle)
Route of Administration: Ip one time/day for 30 days
Experimental Results: Numerous follicles in different stages of development were found at the dose of 3 mg/kg in the ovaries. Not detected the corpora lutea (CL) at the dose of 6 mg/kg.

Absorption, Distribution and Excretion
ENOUGH MATERIAL CAN BE ABSORBED PERCUTANEOUSLY OR BY RESPIRATORY ROUTE TO PRODUCE...EFFECTS. /ESTROGENS/
STUDIES WITH RADIOACTIVE...HEXESTROL...HAVE CONFIRMED...REPORTS THAT...COMPD ARE RAPIDLY ABSORBED INTO ANIMAL BODY AND...EXCRETED IN FECES AND URINE. PROPORTION EXCRETED...IS...70% IN FECES AND 30% IN URINE...
...TRACES OF...HEXESTROL COULD BE FOUND IN TISSUES 24 HR AFTER...ADMIN TO SHEEP AND GOATS... CONTINUED ADMIN...TO FATTENING STOCK MAY LEAD TO... ACCUMULATION IN EDIBLE PARTS OF CARCASS ALTHOUGH EVIDENCE ON THIS SUBJECT IS CONTROVERSIAL.
ESTROGENS USED IN THERAPY ARE, IN GENERAL, READILY ABSORBED THROUGH SKIN, MUCOUS MEMBRANES, & GI TRACT. WHEN THEY ARE APPLIED FOR LOCAL ACTION, ABSORPTION IS OFTEN SUFFICIENT TO CAUSE SYSTEMIC EFFECTS... /ESTROGENS/

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Metabolism / Metabolites
HEXESTROL YIELDS HEXESTROL-BETA-D-GLUCURONIDE IN RABBIT; JELLINCK PH, BIOCHEM J, 58, 262 (1954). /FROM TABLE/

Interactions
EFFECTS OF ESTROGENS CAN BE BLOCKED BY INHIBITORS OF RNA SYNTHESIS (DACTINOMYCIN) OR PROTEIN SYNTHESIS (CYCLOHEXIMIDE). /ESTROGENS/
ESTROGENS...INHIBIT ORAL ANTICOAGULANT ACTIVITY... OTHER INTERACTIONS INCL POTENTIATION OF TRICYCLIC ANTIDEPRESSANT ACTIVITY & REDUCTION OF BOTH PYRIDOXINE & FOLIC ACID LEVELS. PHENOBARBITAL INCR METABOLISM OF ESTROGENS... /ESTROGENS/

[1]. The oral use of hexestrol for estrogen deficiency. Am J Obstet Gynecol. 1946 May; 51: 660-5.

[2]. Effects of hexestrol on mouse ovarian morphology and ovulation. Maturitas. 2008 Jun 20; 60(2): 153-7.

[3]. Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta. Endocrinology. 1997 Mar;138(3):863-70.

A synthetic estrogen that has been used as a hormonal antineoplastic agent.
Hexestrol is a synthetic hydrogenated derivative of diethylstilbestrol (DES). Hexestrol exhibits strong affinity for estrogen receptors that are overexpressed in some types of cancers. When conjugated with a neoplastic drug, hexestrol may selectively concentrate the cytotoxic agent in estrogen receptor-rich tumors. This agent may also be mutagenic. (NCI04)
A synthetic estrogen that has been used as a hormonal antineoplastic agent.
See also: Diethylstilbestrol Dipropionate (annotation moved to).

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Mechanism of Action
...INCR IN SYNTHESIS OF VARIOUS TYPES OF RNA & PROTEIN...STIMULATION OF DNA SYNTHESIS... IT IS NOT CLEAR WHETHER PROMINENT...STIMULATION OF RNA SYNTHESIS IS RESULT OF INCR RNA POLYMERASE ACTIVITY, INCR CHROMATIN TEMPLATE ACTIVITY, ALTERED NUCLEAR TRANSPORT PHENOMENA, OR COMBINATIONS THEREOF. /ESTROGENS/
...AS RESULT OF...NUCLEAR BINDING...METABOLIC ALTERATIONS ENSUE. ...MRNA & CERTAIN SPECIFIC BUT UNKNOWN PROTEINS ARE APPARENTLY SYNTHESIZED RAPIDLY, PERHAPS BECAUSE OF UNMASKING OF RESTRICTED REGIONS OF DNA. /ESTROGENS/
ESTROGENS ARE LARGELY RESPONSIBLE FOR CHANGES THAT TAKE PLACE @ PUBERTY IN GIRLS, &...FOR TANGIBLE & INTANGIBLE ATTRIBUTES OF FEMININITY. BY DIRECT ACTION, THEY CAUSE GROWTH & DEVELOPMENT OF VAGINA, UTERUS, & FALLOPIAN TUBES. /ESTROGENS/

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Therapeutic Uses
Antineoplastic Agents, Hormonal; Estrogens, Non-Steroidal
A SYNTHETIC ESTROGEN.
OSTEOPOROSIS...SENILE OSTEOPOROSIS.../&/...POSTMENOPAUSAL OSTEOPOROSIS. ... DEMONSTRATED THAT, AFTER SEVERAL MO OF ESTROGEN REPLACEMENT IN POSTMENOPAUSAL PT, CALCIUM BALANCE BECOMES POSITIVE & PLASMA ALKALINE PHOSPHATASE ACTIVITY & BONE RESORPTION DECR TO NORMAL. /ESTROGENS/
HIRSUTISM. .../IF/ MILD ANDROGENIC INFLUENCE OF OVARIAN...IS SUSPECTED. ... SUPPRESSION OF OVARY WITH ESTROGEN MAY BE WORTHWHILE. ... PREVENTION OF HEART ATTACKS. ...FAVORED POSITION OF WOMEN IN INCIDENCE OF FATAL MYOCARDIAL INFARCTION, ESTROGEN THERAPY HAS BEEN TRIED AS PROPHYLACTIC MEASURE IN MEN. /ESTROGENS/
For more Therapeutic Uses (Complete) data for HEXESTROL (11 total), please visit the HSDB record page.

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Drug Warnings
HEXESTROL IS CONTRAINDICATED DURING PREGNANCY.
CONTRAINDICATIONS TO...USE ARE THROMBOEMBOLIC DISORDERS OR PAST HISTORY OF THESE CONDITIONS, MARKEDLY IMPAIRED HEPATIC FUNCTION, KNOWN OR SUSPECTED CARCINOMA OF BREAST OR OTHER ESTROGEN-DEPENDENT NEOPLASIA, & UNDIAGNOSED GENITAL BLEEDING. /ESTROGENS/
IN WOMEN, CHRONIC USE MAY CAUSE SPOTTING OR BREAKTHROUGH VAGINAL BLEEDING; AFTER DISCONTINUATION, WITHDRAWAL BLEEDING USUALLY OCCURS. /ESTROGENS/

C18H22O2

270.37

270.161

84-16-2

(Rac)-Hexestrol-d4;1189950-25-1;(Rac)-Hexestrol-d6;1215476-12-2;(Rac)-Hexestrol-d6 (hexane-2,2,3,4,5,5-d6);1219798-48-7

192197

White to off-white solid powder

1.1±0.1 g/cm3

399.5±22.0 °C at 760 mmHg

186 °C

181.6±16.9 °C

0.0±1.0 mmHg at 25°C

1.582

4.98

40.46

2

2

5

20

235

2

CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC=C(C=C2)O

PBBGSZCBWVPOOL-HDICACEKSA-N

InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+

4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

注意： 本产品在运输和储存过程中需避光。

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

配方 1 中的溶解度: 2.08 mg/mL (7.69 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (这些助溶剂从左到右依次添加，逐一添加), 悬浮液；超声助溶。
例如，若需制备1 mL的工作液，可将100 μL 20.8 mg/mL澄清DMSO储备液加入400 μL PEG300中，混匀；然后向上述溶液中加入50 μL Tween-80，混匀；加入450 μL生理盐水定容至1 mL。
*生理盐水的制备：将 0.9 g 氯化钠溶解在 100 mL ddH₂O中，得到澄清溶液。

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配方 2 中的溶解度: ≥ 2.08 mg/mL (7.69 mM) (饱和度未知) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (这些助溶剂从左到右依次添加，逐一添加), 澄清溶液。
例如，若需制备1 mL的工作液，可将 100 μL 20.8 mg/mL澄清DMSO储备液加入900 μL 20% SBE-β-CD生理盐水溶液中，混匀。
*20% SBE-β-CD 生理盐水溶液的制备（4°C，1 周）：将 2 g SBE-β-CD 溶解于 10 mL 生理盐水中，得到澄清溶液。

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配方 3 中的溶解度: ≥ 2.08 mg/mL (7.69 mM) (饱和度未知) in 10% DMSO + 90% Corn Oil (这些助溶剂从左到右依次添加，逐一添加), 澄清溶液。
例如，若需制备1 mL的工作液，可将 100 μL 20.8 mg/mL 澄清 DMSO 储备液加入到 900 μL 玉米油中并混合均匀。

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配方 4 中的溶解度: 30% Propylene glycol , 5% Tween 80 , 65% D5W: 30 mg/mL

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请根据您的实验动物和给药方式选择适当的溶解配方/方案：
1、请先配制澄清的储备液(如：用DMSO配置50 或 100 mg/mL母液(储备液));
2、取适量母液，按从左到右的顺序依次添加助溶剂，澄清后再加入下一助溶剂。以 下列配方为例说明 (注意此配方只用于说明，并不一定代表此产品 的实际溶解配方):
10% DMSO → 40% PEG300 → 5% Tween-80 → 45% ddH2O (或 saline);
假设最终工作液的体积为 1 mL, 浓度为5 mg/mL: 取 100 μL 50 mg/mL 的澄清 DMSO 储备液加到 400 μL PEG300 中，混合均匀/澄清；向上述体系中加入50 μL Tween-80，混合均匀/澄清；然后继续加入450 μL ddH2O (或 saline)定容至 1 mL；
3、溶剂前显示的百分比是指该溶剂在最终溶液/工作液中的体积所占比例;
4、 如产品在配制过程中出现沉淀/析出，可通过加热(≤50℃)或超声的方式助溶;
5、为保证最佳实验结果，工作液请现配现用！
6、如不确定怎么将母液配置成体内动物实验的工作液，请查看说明书或联系我们;
7、 以上所有助溶剂都可在 Invivochem.cn网站购买。