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N-(3,3-difluorocyclobutyl)formamide is a chemical compound with the molecular formula C5H7F2NO. It is a formamide derivative containing a difluorocyclobutyl group. N-(3,3-difluorocyclobutyl)formamide is characterized by its unique chemical structure and properties, which make it a valuable building block in organic synthesis and medicinal chemistry.

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  • 1355328-30-1 Structure
  • Basic information

    1. Product Name: N-(3,3-difluorocyclobutyl)formamide
    2. Synonyms: N-(3,3-difluorocyclobutyl)formamide;Formamide, N-(3,3-difluorocyclobutyl)-
    3. CAS NO:1355328-30-1
    4. Molecular Formula: C5H7F2NO
    5. Molecular Weight: 135.1119864
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1355328-30-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 239.3±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.23±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 14.13±0.40(Predicted)
    10. CAS DataBase Reference: N-(3,3-difluorocyclobutyl)formamide(CAS DataBase Reference)
    11. NIST Chemistry Reference: N-(3,3-difluorocyclobutyl)formamide(1355328-30-1)
    12. EPA Substance Registry System: N-(3,3-difluorocyclobutyl)formamide(1355328-30-1)
  • 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: 1355328-30-1(Hazardous Substances Data)

1355328-30-1 Usage

Uses

Used in Organic Synthesis:
N-(3,3-difluorocyclobutyl)formamide is used as a building block in organic synthesis for creating other complex molecules. Its difluorocyclobutyl group and formamide structure contribute to the formation of various organic compounds with potential applications in different industries.
Used in Medicinal Chemistry:
In medicinal chemistry, N-(3,3-difluorocyclobutyl)formamide is utilized as a building block to develop new pharmaceutical compounds. Its unique chemical structure allows for the creation of molecules with potential therapeutic properties.
Used in Pharmaceutical Development:
N-(3,3-difluorocyclobutyl)formamide has been studied for its potential pharmacological properties, including anti-inflammatory and analgesic effects. This makes it a promising candidate for the development of new drugs targeting inflammation and pain management.
Used in Material Science:
Due to its unique chemical structure and properties, N-(3,3-difluorocyclobutyl)formamide may also have applications in the development of new materials. Its difluorocyclobutyl group can potentially contribute to the creation of materials with specific characteristics, such as enhanced stability or reactivity, depending on the intended application.

Check Digit Verification of cas no

The CAS Registry Mumber 1355328-30-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,5,5,3,2 and 8 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1355328-30:
(9*1)+(8*3)+(7*5)+(6*5)+(5*3)+(4*2)+(3*8)+(2*3)+(1*0)=151
151 % 10 = 1
So 1355328-30-1 is a valid CAS Registry Number.

1355328-30-1Downstream Products

1355328-30-1Relevant articles and documents

Synthesis and biological evaluation of novel PET tracers [18F]AG120 & [18F]AG135 for imaging mutant isocitrate dehydrogenase 1 expression

Cheng, Dengfeng,Cheng, Yuan,Fu, Zhequan,Lin, Qingyu,Shi, Dai,Shi, Hongcheng,Tan, Hui,Wang, Tingting,Xu, Zhan,Zhang, Yingying

, (2021/12/08)

Mutations in isocitrate dehydrogenase 1 (IDH1) are commonly found in various human malignancies. Inhibitors of several mutant IDH1 enzymes have entered clinical trials as target therapeutic drugs for the treatment of patients with IDH1 mutations. Herein, we report the synthesis and evaluation of two 18F-labeled tracers, [18F]AG120 and [18F]AG135 for imaging expression of mutated IDH1 in positron emission tomography (PET). [18F]AG120 and [18F]AG135 were synthesized in decay-corrected radiochemical yield of 1 % and 3 %, respectively, high molar activity (52–66 MBq/nmol and 216–339 MBq/nmol, respectively) and high radiochemical purity (>99%). Both tracers showed good in vitro stability, selective uptake into mutated IDH1-expressing cells and good pharmacokinetic profiles with low uptake in most organs/tissues. Furthermore, [18F]AG120 micro-PET/CT imaging displayed significantly greater uptake in IDH1-mutant than in wild-type tumors, Relatively, uptake of [18F]AG135 was observed neither in IDH1-mutant tumor xenografts nor in wild-type tumors. This study suggests that [18F]AG120 is a promising radiotracer for PET imaging of IDH1 mutation, However, further optimization and investigation are necessary for [18F]AG135 due to the limited uptake in mutated IDH1-expressing tumors.

AN IMPROVED PROCESS OF PREPARATION OF IVOSIDENIB

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Page/Page column 17, (2021/02/19)

The present invention relates to an improved process of preparation of Ivosidenib a compound of Formula (I). More particularly, present invention provides process of preparation of intermediates. Also provide process of preparation of amorphous form of Ivosidenib. Further, present invention provides process of preparation of chirally pure Ivosidenib a compound of Formula (I).

SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS

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Paragraph 00557-00560, (2021/11/06)

Provided herein are compounds, pharmaceutical compositions and methods for treating a SARS-CoV-2 infection.

SOLID STATE FORMS OF IVOSIDENIB

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Paragraph 00188, (2019/06/11)

Solid state forms of Ivosidenib, processes for preparation thereof, pharmaceutical compositions thereof, and uses thereof are disclosed.

Discovery of AG-120 (Ivosidenib): A First-in-Class Mutant IDH1 Inhibitor for the Treatment of IDH1 Mutant Cancers

Popovici-Muller, Janeta,Lemieux, René M.,Artin, Erin,Saunders, Jeffrey O.,Salituro, Francesco G.,Travins, Jeremy,Cianchetta, Giovanni,Cai, Zhenwei,Zhou, Ding,Cui, Dawei,Chen, Ping,Straley, Kimberly,Tobin, Erica,Wang, Fang,David, Muriel D.,Penard-Lacronique, Virginie,Quivoron, Cyril,Saada, Véronique,De Botton, Stéphane,Gross, Stefan,Dang, Lenny,Yang, Hua,Utley, Luke,Chen, Yue,Kim, Hyeryun,Jin, Shengfang,Gu, Zhiwei,Yao, Gui,Luo, Zhiyong,Lv, Xiaobing,Fang, Cheng,Yan, Liping,Olaharski, Andrew,Silverman, Lee,Biller, Scott,Su, Shin-San M.,Yen, Katharine

supporting information, p. 300 - 305 (2018/04/20)

Somatic point mutations at a key arginine residue (R132) within the active site of the metabolic enzyme isocitrate dehydrogenase 1 (IDH1) confer a novel gain of function in cancer cells, resulting in the production of d-2-hydroxyglutarate (2-HG), an oncometabolite. Elevated 2-HG levels are implicated in epigenetic alterations and impaired cellular differentiation. IDH1 mutations have been described in an array of hematologic malignancies and solid tumors. Here, we report the discovery of AG-120 (ivosidenib), an inhibitor of the IDH1 mutant enzyme that exhibits profound 2-HG lowering in tumor models and the ability to effect differentiation of primary patient AML samples ex vivo. Preliminary data from phase 1 clinical trials enrolling patients with cancers harboring an IDH1 mutation indicate that AG-120 has an acceptable safety profile and clinical activity.

Discovery and structure-activity-relationship study of novel conformationally restricted indane analogues for mutant isocitric dehydrogenase 1 (IDH1) inhibitors

Zheng, Qiangang,Tang, Shuai,Fu, Xianlei,Chen, Ziqi,Ye, Yan,Lan, Xiaojing,Jiang, Lei,Huang, Ying,Ding, Jian,Geng, Meiyu,Huang, Min,Wan, Huixin

supporting information, p. 5262 - 5266 (2017/10/30)

The discovery and optimization of various of indane amides as mutant IDH1 inhibitors via structure-based rational design were reported. The optimal compounds demonstrated both potent inhibition in IDH1R132H enzymatic activity and 2HG production in IDH1 mutant HT1080 cell line, favorable PK properties and great selectivity against IDH1wt and IDH2R140Q.

THERAPEUTICALLY ACTIVE COMPOUNDS AND USE THEREOF

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Page/Page column 62; 63, (2015/02/19)

Provided are therapeutically active compounds and the use in manufacture of medicaments for treating a cancer characterized by the presence of a mutant allele of IDH1.

THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE

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Page/Page column 61-62, (2015/02/19)

Provided are methods of treating a cancer characterized by the presence of a mutant allele of IDH1/2 comprising administering to a subject in need thereof a compound described here.

THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE

-

, (2015/02/19)

Provided are methods of treating a cancer characterized by the presence of a mutant allele of IDH1/2 comprising administering to a subject in need thereof a compound described here.

THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE

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, (2015/03/31)

Provided are methods of treating a cancer characterized by the presence of a mutant allele of IDH1/2 comprising administering to a subject in need thereof a compound described here.

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