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(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol is an organic compound that serves as a crucial intermediate in the synthesis of Lorlatinib, a medication used for the treatment of cancer. It is characterized by its unique molecular structure, which includes a fluorine atom and an iodine atom attached to a phenyl ring, with an ethan-1-ol group attached to the stereocenter.

1454847-96-1

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1454847-96-1 Usage

Uses

Used in Pharmaceutical Industry:
(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol is used as a key intermediate in the synthesis of Lorlatinib, an orally administered inhibitor of ALK (anaplastic lymphoma kinase) and ROS1 (c-ros oncogene 1). These enzymes are known to contribute to the development and progression of certain types of cancer. By inhibiting the activity of these enzymes, Lorlatinib can help slow down or stop the growth of cancer cells, making (S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol an essential component in the development of this targeted cancer therapy.
Additionally, due to its unique chemical properties, (S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol may have potential applications in other areas of the pharmaceutical industry, such as the development of new drugs or drug delivery systems. However, further research and development would be required to explore these possibilities.

Physical Form

Solid or liquid

Check Digit Verification of cas no

The CAS Registry Mumber 1454847-96-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,4,5,4,8,4 and 7 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1454847-96:
(9*1)+(8*4)+(7*5)+(6*4)+(5*8)+(4*4)+(3*7)+(2*9)+(1*6)=201
201 % 10 = 1
So 1454847-96-1 is a valid CAS Registry Number.

1454847-96-1Relevant academic research and scientific papers

Developing an Asymmetric Transfer Hydrogenation Process for (S)-5-Fluoro-3-methylisobenzofuran-1(3H)-one, a Key Intermediate to Lorlatinib

Duan, Shengquan,Li, Bryan,Dugger, Robert W.,Conway, Brian,Kumar, Rajesh,Martinez, Carlos,Makowski, Teresa,Pearson, Robert,Olivier, Mark,Colon-Cruz, Roberto

, p. 1340 - 1348 (2017)

Synthesis of (S)-5-fluoro-3-methylisobenzofuran-1(3H)-one (6), a key intermediate to lorlatinib, is described. A few synthetic methodologies, that is, boron reduction, enzymatic reduction, asymmetric hydrogenation, and asymmetric transfer hydrogenation, were evaluated for the chiral reduction of the substituted acetophenone intermediate (8). A manufacturing process, on the basis of the asymmetric transfer hydrogenation, was developed. This process was successfully scaled up to prepare 400 kg of 6.

PREPARATION METHOD FOR DEUTERATED MACROCYCLIC COMPOUND

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, (2022/02/05)

Provided are a compound as represented by formula (D) and a preparation method therefor, where X2 is a halogen, Pg is selected from H and an amino protecting group, such as Cbz, Boc, Fmoc, Alloc, Teoc, methoxycarbonyl or ethoxycarbonyl. Also pr

Benzoxadiazepine tetradecene derivative and application thereof

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Paragraph 0097-0100, (2020/07/15)

The invention discloses a benzoxadiazepine tetradecene derivative and application thereof, belonging to the field of medicines. The benzoxadiazepine tetradecene derivative with a structure as shown ina general formula (I) has excellent anaplastic lymphoma enzyme (ALK) inhibition activity and excellent pharmacodynamic performance, and can obviously prolong the large metabolic half-life period of adrug; the derivative can be safely and effectively used for treating anaplastic lymphoma kinase positive (ALK+) metastatic (advanced) non-small cell lung cancer (NSCLC) and the like, thereby providing a new means for treating cancers, metabolic and immune diseases, cardiovascular diseases, neurological diseases and the like.

MACROCYCLE AND COMPOSITION COMPRISING THEREOF

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Paragraph 0041; 0042, (2019/01/04)

A macrocycle represented by formula (I) and a pharmaceutical composition comprising the macrocycle, or a crystalline form, pharmaceutically acceptable salt, hydrate or solvent compound, stereoisomer, prodrug, or isotopic variant of the macrocycle. The macrocycle and the composition thereof inhibit a protein kinase.

Conformational Studies and Atropisomerism Kinetics of the ALK Clinical Candidate Lorlatinib (PF-06463922) and Desmethyl Congeners

Elleraas, Jeff,Ewanicki, Jason,Johnson, Ted W.,Sach, Neal W.,Collins, Michael R.,Richardson, Paul F.

supporting information, p. 3590 - 3595 (2016/03/25)

Lorlatinib (PF-06463922) is an ALK/ROS1 inhibitor and is in clinical trials for the treatment of ALK positive or ROS1 positive NSCLC (i.e. specific subsets of NSCLC). One of the laboratory objectives for this molecule indicated that it would be desirable

Discovery of (10 R)-7-Amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17- tetrahydro- 2H -8,4-(metheno)pyrazolo[4,3- h ][2,5,11]- benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations

Johnson, Ted W.,Richardson, Paul F.,Bailey, Simon,Brooun, Alexei,Burke, Benjamin J.,Collins, Michael R.,Cui, J. Jean,Deal, Judith G.,Deng, Ya-Li,Dinh, Dac,Engstrom, Lars D.,He, Mingying,Hoffman, Jacqui,Hoffman, Robert L.,Huang, Qinhua,Kania, Robert S.,Kath, John C.,Lam, Hieu,Lam, Justine L.,Le, Phuong T.,Lingardo, Laura,Liu, Wei,McTigue, Michele,Palmer, Cynthia L.,Sach, Neal W.,Smeal, Tod,Smith, Graham L.,Stewart, Albert E.,Timofeevski, Sergei,Zhu, Huichun,Zhu, Jinjiang,Zou, Helen Y.,Edwards, Martin P.

supporting information, p. 4720 - 4744 (2014/07/07)

Although crizotinib demonstrates robust efficacy in anaplastic lymphoma kinase (ALK)-positive non-small-cell lung carcinoma patients, progression during treatment eventually develops. Resistant patient samples revealed a variety of point mutations in the kinase domain of ALK, including the L1196M gatekeeper mutation. In addition, some patients progress due to cancer metastasis in the brain. Using structure-based drug design, lipophilic efficiency, and physical-property-based optimization, highly potent macrocyclic ALK inhibitors were prepared with good absorption, distribution, metabolism, and excretion (ADME), low propensity for p-glycoprotein 1-mediated efflux, and good passive permeability. These structurally unusual macrocyclic inhibitors were potent against wild-type ALK and clinically reported ALK kinase domain mutations. Significant synthetic challenges were overcome, utilizing novel transformations to enable the use of these macrocycles in drug discovery paradigms. This work led to the discovery of 8k (PF-06463922), combining broad-spectrum potency, central nervous system ADME, and a high degree of kinase selectivity.

SOLID FORMS OF A MACROCYCLIC KINASE INHIBITOR

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Page/Page column 28-29, (2015/01/16)

This invention relates to crystalline solvates of (10R)-7-amino-12-fluoro-2,10,16- trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benz- oxadiazacyclotetradecine-3-carbonitrile, useful in the treatment of abnormal cell growt

MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES

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, (2013/09/26)

The invention relates to compounds of formula (Φ) as further defined herein and to the pharmaceutically acceptable salts thereof, to pharmaceutical compositions comprising such compounds and salts, and to the uses thereof. The compounds and salts of the present invention inhibit anaplastic lymphoma kinase (ALK) and/or EML4-ALK and are useful for treating or ameliorating abnormal cell proliferative disorders, such as cancer.

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