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4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE is a chemical compound with a complex structure that features a cyano group, a fluorine atom, and a methylbenzamide moiety. It is known for its potential applications in the development of pharmaceuticals, particularly in the area of androgen receptor antagonists.

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  • 915087-32-0 Structure
  • Basic information

    1. Product Name: 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE
    2. Synonyms: 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE;BenzaMide, 4-[(1-cyano-1-Methylethyl)aMino]-2-fluoro-N-Methyl-;4. 4-((2-cyanopropan-2-yl)aMino)-2-fluoro-N-MethylbenzaMide;4-[(1-Cyano-1-Methylethyl)aMino]-2-fluoro-N-MethylbenzaMide
    3. CAS NO:915087-32-0
    4. Molecular Formula: C12H14FN3O
    5. Molecular Weight: 235.26
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 915087-32-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 413.6±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1 +-.0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 14.29±0.46(Predicted)
    10. CAS DataBase Reference: 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE(915087-32-0)
    12. EPA Substance Registry System: 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE(915087-32-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 915087-32-0(Hazardous Substances Data)

915087-32-0 Usage

Uses

Used in Pharmaceutical Industry:
4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE is used as a key intermediate in the synthesis of thiohydantoin androgen receptor antagonists. These antagonists are specifically designed for the treatment of castration-resistant prostate cancer, a condition where the cancer continues to grow despite low levels of testosterone.
Additionally, this compound is utilized in the preparation of imidazolidinedione compounds, which also act as androgen receptor antagonists. These antagonists are beneficial in the treatment of various diseases, including prostate cancer, by targeting the androgen receptor and inhibiting its activity, thus limiting the growth of cancer cells.

Check Digit Verification of cas no

The CAS Registry Mumber 915087-32-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,1,5,0,8 and 7 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 915087-32:
(8*9)+(7*1)+(6*5)+(5*0)+(4*8)+(3*7)+(2*3)+(1*2)=170
170 % 10 = 0
So 915087-32-0 is a valid CAS Registry Number.

915087-32-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(2-cyanopropan-2-ylamino)-2-fluoro-N-methylbenzamide

1.2 Other means of identification

Product number -
Other names Benzamide,4-[(1-cyano-1-methylethyl)amino]-2-fluoro-N-methyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:915087-32-0 SDS

915087-32-0Relevant articles and documents

Prostatic cancer treatment medicine

-

, (2019/03/26)

The invention relates to a compound with a prostatic cancer treatment function and nontoxic pharmaceutically acceptable salt of the compound. The structure of the compound is as shown in a formula I,wherein X is C or N, R1 is alkyl of C1-C3 or halogen substituted alkyl, R2 is alkyl of C1-C3 and halogen substituted alkyl or halogen, R3 and R4 are independently selected from H, alkyl and substituted alkyl, and R3 and R4 are connected to form cycloalkyl. The compound has high inhibiting effects on in-situ prostate cancer and transfer of the prostate cancer, and eclamptogenic side effects are lower.

Preparation method of enzalutamide intermediate

-

Paragraph 0025; 0026; 0040; 0041; 0042, (2018/08/28)

The invention discloses a preparation method of an enzalutamide intermediate and belongs to the field of pharmaceutical and chemical industry. According to the preparation method of the enzalutamide intermediate, the reaction of every process is high up to higher than 80%, certain reaches up to 93%. Meanwhile, the preparation method of the enzalutamide intermediate is simple in aftertreatment process, easy to operate and applicable to industrializing, mild in reaction conditions and free from severe reaction conditions of high temperature, high pressure and ultralow temperature.

Effect of N-methyl deuteration on pharmacokinetics and pharmacodynamics of enzalutamide

Pang, Xuehai,Peng, Lingling,Chen, Yuanwei

, p. 401 - 409 (2017/08/01)

Enzalutamide, a second-generation antiandrogen, has been developed for the treatment of castration-resistance prostate cancer. We synthesized the deuterated analogues 6 and found that it showed higher drug exposure and thus stronger antitumor potency in preclinical settings. Compound 6 is being developed clinically for the potential to be differentiated from enzalutamide through reduced dosages and a higher safety margin.

PROCESS FOR THE PREPARATION OF ENZALUTAMIDE

-

, (2016/04/20)

A process for the preparation of enzalutamide. The disclosed process may be effectively implemented on an industrial scale. In some implementations, the following reaction step is employed in the production of enzalutamide.

IMIDAZOLE DIKETONE COMPOUND AND USE THEREOF

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, (2016/06/28)

Provided are imidazolidinedione compounds of formula (I), processes for preparation, uses and pharmaceutically compositions thereof. Said imidazolidinedione compounds possess androgen receptor antagonist activity and can be used for preventing and treating diseases and disorders related to androgen receptor, such as prostate cancer, alopecia, hair regeneration, acne and adolescent acne.

IMIDAZOLIDINEDIONE COMPOUNDS AND THEIR USES

-

, (2014/10/29)

Provided are imidazolidinedione compounds of formula (I), processes for preparation, uses and pharmaceutically compositions thereof. Said imidazolidinedione compounds posses androgen receptor antagonist activity and can be used for preventing and treating diseases and disorders related to androgen receptor, such as prostate cancer, alopecia, hair regeneration, acne and adolescent acne.

IMIDAZOLIDINEDIONE COMPOUNDS AND THEIR USES

-

, (2015/01/06)

Provided are imidazolidinedione compounds of formula (I), processes for preparation, uses and pharmaceutically compositions thereof. Said imidazolidinedione compounds posses androgen receptor antagonist activity and can be used for preventing and treating diseases and disorders related to androgen receptor, such as prostate cancer, alopecia, hair regeneration, acne and adolescent acne.

ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF

-

, (2011/04/18)

The present invention relates to novel substituted thioimidazolidinone compounds and pharmaceutical compositions comprising such compounds for treatment of androgen receptor-associated diseases or disorders, such as prostate cancer, benign prostatic hypertrophy, male hair loss, muscle loss, acne and hirsutism.

Structure-activity relationship for thiohydantoin androgen receptor antagonists for castration-resistant prostate cancer (CRPC)

Jung, Michael E.,Ouk, Samedy,Yoo, Dongwon,Sawyers, Charles L.,Chen, Charlie,Tran, Chris,Wongvipat, John

experimental part, p. 2779 - 2796 (2010/09/05)

A structure-activity relationship study was carried out on a series of thiohydantoins and their analogues 14 which led to the discovery of 92 (MDV3100) as the clinical candidate for the treatment of hormone refractory prostate cancer.

Diarylthiohydantoin compounds

-

Page/Page column 7, (2008/06/13)

The present invention relates to diarylthiohydantoin compounds and methods for synthesizing them and using them in the treatment of hormone refractory prostate cancer.

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