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107553-81-1

METHYL 4-(2-CYANOPROPAN-2-YLAMINO)BENZOATE, also known as Methyl 4-[(1-cyano-1-methylethyl)amino]benzoate, is an organic compound that serves as a crucial intermediate in the synthesis of pharmaceutical compounds. It is characterized by its unique chemical structure, which includes a cyano group, an amino group, and a benzoate group, all of which contribute to its reactivity and potential applications in the pharmaceutical industry.

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  • 107553-81-1 Structure

  • Basic information

    1. Product Name: METHYL 4-(2-CYANOPROPAN-2-YLAMINO)BENZOATE
    2. Synonyms: METHYL 4-(2-CYANOPROPAN-2-YLAMINO)BENZOATE
    3. CAS NO:107553-81-1
    4. Molecular Formula: C12H14N2O2
    5. Molecular Weight: 0
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 107553-81-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: METHYL 4-(2-CYANOPROPAN-2-YLAMINO)BENZOATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: METHYL 4-(2-CYANOPROPAN-2-YLAMINO)BENZOATE(107553-81-1)
    11. EPA Substance Registry System: METHYL 4-(2-CYANOPROPAN-2-YLAMINO)BENZOATE(107553-81-1)

  • 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: 107553-81-1(Hazardous Substances Data)

107553-81-1 Usage

Uses

Used in Pharmaceutical Industry:
METHYL 4-(2-CYANOPROPAN-2-YLAMINO)BENZOATE is used as an intermediate in the synthesis of Defluoro-MDV 3100 (D228590), an impurity of Enzalutamide (M199800). Enzalutamide is an androgen-receptor antagonist that plays a significant role in the treatment of castration-resistant prostate cancer.
As an intermediate, METHYL 4-(2-CYANOPROPAN-2-YLAMINO)BENZOATE is essential for the production of Enzalutamide, which works by blocking androgens from binding to the androgen receptor. This prevents the nuclear translocation and co-activator recruitment of the ligand-receptor complex, ultimately leading to the induction of tumor cell apoptosis. The use of METHYL 4-(2-CYANOPROPAN-2-YLAMINO)BENZOATE in the synthesis of Enzalutamide highlights its importance in the development of novel therapeutic agents for the treatment of prostate cancer.

Check Digit Verification of cas no

The CAS Registry Mumber 107553-81-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,7,5,5 and 3 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 107553-81:
(8*1)+(7*0)+(6*7)+(5*5)+(4*5)+(3*3)+(2*8)+(1*1)=121
121 % 10 = 1
So 107553-81-1 is a valid CAS Registry Number.

107553-81-1Relevant articles and documents

Dual-function antiandrogen/HDACi hybrids based on enzalutamide and entinostat

Barrett, Ryan R.G.,Nash, Claire,Diennet, Marine,Cotnoir-White, David,Doyle, Christopher,Mader, Sylvie,Thomson, Axel A.,Gleason, James L.

supporting information, (2021/12/01)

The combination of androgen receptor antagonists with histone deacetylase inhibitors (HDACi) has been shown to be more effective than antiandrogens alone in halting growth of prostate cancer cell lines. Here we have designed, synthesized and assessed a se

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.

THERMAL Z,E-ISOMERIZATION OF IMINES. IV. ANILS OF ACETONE

Prosyanik, A. V.,Kol'tsov, N. Yu.,Romanchenko, V. A.

, p. 1330 - 1337 (2007/10/02)

It has been established by the correlation between the values of log k298 and the ? constants that the degenerate thermal Z,E-isomerization of anils of acetone takes place according to an inversion mechanism, with the exception of acetone p-dimethylaminophenylimine, which isomerizes predominantly according to a rotation mechanism.The increase in the steric stresses upon the introduction of ortho substituents into the aryl ring of anils of acetone results in significant lowering of the barriers to the inversion of the nitrogen atom.The raising of the barriers to inversion in phenylimines as the electron-acceptor properties of the substituents on the imino carbon atom are enhanced is due to the weakening of the n?N-?*Ph interaction as a consequence of the increase in the energy gap between the interacting orbitals as a result of the lowering of the energy of the n?N orbital.

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