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Docetaxel

Docetaxel structure

CAS No:
114977-28-5
Formula:
C43H53NO14
Chemical Name:
Docetaxel
Synonyms:
Benzenepropanoic acid,β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,(αR,βS)-;Benzenepropanoic acid,β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-,12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,[2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-;7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete,benzenepropanoic acid deriv.;RP 56976;Docetaxel;Taxotere;N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol;Docetaxol;Docetere;Taxotel;SID 530;Duopafei;Docefrez;BIND 014;Miradocetaxel;CKD 810;CRLX 301;ATI 1123;216252-50-5;129522-72-1
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

Description

Docetaxel is an antineoplastic drug by inhibiting microtubule depolymerization, and attenuating of the effects of bcl-2 and bcl-xL gene expression.

Docetaxel Basic Attributes

Molecular Weight：

807.87900

Exact Mass：

807.88

EC Number：

601-339-2

HScode：

2932999099

Characteristics

PSA：

224.45000

XLogP3：

1.6

Appearance：

Off-white Cryst.

Density：

1.37 g/cm3

Melting Point：

232 °C

Boiling Point：

900.5ºC at 760 mmHg

Flash Point：

498.4ºC

Refractive Index：

1.618

Water Solubility：

1.27e-02 g/L

Storage Conditions：

Keep tightly closed. Store at +4ºC.

Vapor Pressure：

5.61X10-27 mm Hg at 25 deg C (est)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 1544

hazard class code：

R36/37/38

safety instructions：

S26; S36/37

RTECS Number：

DA4172750

Marks：

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P201, P202, P260, P264, P270, P280, P281, P305+P351+P338, P308+P313, P314, P337+P313, P405, P501

Hazard Statements：

H319

Docetaxel Use and Manufacturing

Antineoplastic;binds to microtubules Anticancer drugs. Used for uterine cancer. Uses Anti-tumor botanicals for the treatment of metastatic breast cancer and non-small cell lung cancer. Docetaxel can be used to study antibiotics, cell biology, cell signaling, neuroscience, apoptosis and cell cycle. Docetaxel is also used to study hair loss caused by docetaxel chemotherapy, to prevent and treat non-small cell lung cancer in patients who are contraindicated with standard chemotherapy. Docetaxel has also been used to study the effects of hypoxia-inducible factor-1α and 2α in androgen-insensitive prostate cancer cells.

Computed Properties

Molecular Weight:807.9
XLogP3:1.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:13
Exact Mass:807.34660536
Monoisotopic Mass:807.34660536
Topological Polar Surface Area:224
Heavy Atom Count:58
Complexity:1660
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Argon

Epsom Salt

tert-Butanol

Drug Function and Efficacy

Docetaxel is a paclitaxel anti-tumor drug that exerts its anti-tumor effect by interfering with the microtubule network necessary for cell mitosis and interphase cell function. Docetaxel can bind to free tubulin, promote tubulin assembly into stable microtubules, and inhibit its depolymerization, resulting in the production of microtubule bundles that have lost their normal function and the fixation of microtubules, thereby inhibiting cell mitosis. The binding of docetaxel to microtubules does not change the number of protofilaments, which is different from most spindle toxic drugs currently used in clinical practice.

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

Related Drugs

Docetaxel Injection
Ingredients	The main ingredient of this product is docetaxel.
Indication	In vitro studies have shown that CYP3A4 inhibitors may interfere with the metabolism of this product, so extreme caution should be exercised when it is used simultaneously with such drugs (such as ketoconazole, erythromycin, cyclosporine, etc.).
Specifications	0.5ml:20mg
Manufacturer	Shanghai SPH New ASIA Pharmaceutical Co., Ltd.

Docetaxel Injection
Ingredients	The main ingredient of this product is docetaxel.
Indication	In vitro studies have shown that CYP3A4 inhibitors may interfere with the metabolism of this product, so extreme caution should be exercised when it is used simultaneously with such drugs (such as ketoconazole, erythromycin, cyclosporine, etc.).
Specifications	0.5ml:20mg
Manufacturer	Zhejiang Sansheng Mandi Pharmaceutical Co., Ltd.

Docetaxel Injection
Ingredients	The main ingredient of this product is docetaxel. Chemical name: {2Ar-[2aalpha;, 4beta;, 4abeta;, 6beta;, 9alpha; (alpha; R, Beta; s), 11alpha;, 12alpha;, 12aalpha;, 12balpha;]}-beta;-{[(1,1-dimethylethoxy)carbonyl]amino}-alpha;-hydroxyphenylpropionic acid [12b-acetoxybenzoyloxy-2a, 3, 4, 4a, 5, 6, 9, 10, 11, 12, 12a, 12b-twelve hydrogen-4, 6, 11-trihydroxy-4a, 8, 13, 13-tetramethyl-5-oxo-7, 11-methylene-1H-cyclodecene pentaenol [3, 4] benzo [1, 2-b] oxabutane-9-yl] ester. Molecular formula: C43H53NO14 Molecular weight: 807.88
Indication	In vitro studies have shown that CYP3A4 inhibitors may interfere with the metabolism of this product, so extreme caution should be exercised when it is used simultaneously with such drugs (such as ketoazole, erythromycin, cyclosporine, etc.).
Specifications	4ml:80mg
Manufacturer	Qilu Pharmaceutical Co., Ltd.

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Registered Holders

CENWAY PHARMACEUTICALS CO LTD

United States
Active
BIOVECTRA INC

United States
Active
Phyton Biotech LLC

Japan
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Guide of Docetaxel

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Drug Function and Efficacy
Related Drugs
Registered Holders
Recommended Suppliers
Learn More Other Chemicals

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