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2-Thio-1,3-oxazolo[4,5-b]pyridine is a heterocyclic chemical compound with the molecular formula C6H5NOS. It features a unique structure that incorporates both sulfur and nitrogen atoms, making it a compound of interest in the fields of medicinal chemistry and chemical synthesis. Its potential pharmacological properties have been a focus of study for its application in pharmaceuticals, as well as its utility as a building block in the synthesis of other compounds.

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  • 211949-57-4 Structure
  • Basic information

    1. Product Name: 2-Thio-1,3-oxazolo[4,5-b]pyridine
    2. Synonyms: 2-Thio-1,3-oxazolo[4,5-b]pyridine
    3. CAS NO:211949-57-4
    4. Molecular Formula: C6H4N2OS
    5. Molecular Weight: 152.17376
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 211949-57-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 284.1°C at 760 mmHg
    3. Flash Point: 125.6°C
    4. Appearance: /
    5. Density: 1.53g/cm3
    6. Vapor Pressure: 0.00303mmHg at 25°C
    7. Refractive Index: 1.729
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 2.91±0.50(Predicted)
    11. CAS DataBase Reference: 2-Thio-1,3-oxazolo[4,5-b]pyridine(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Thio-1,3-oxazolo[4,5-b]pyridine(211949-57-4)
    13. EPA Substance Registry System: 2-Thio-1,3-oxazolo[4,5-b]pyridine(211949-57-4)
  • 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: 211949-57-4(Hazardous Substances Data)

211949-57-4 Usage

Uses

Used in Pharmaceutical Applications:
2-Thio-1,3-oxazolo[4,5-b]pyridine is utilized as a pharmaceutical agent due to its potential pharmacological properties. Its unique structure allows it to be a candidate for the development of new drugs, particularly in the area of medicinal chemistry where its specific interactions with biological targets can be explored.
Used in Organic Synthesis:
In the field of chemical synthesis, 2-Thio-1,3-oxazolo[4,5-b]pyridine serves as a valuable building block. It is used for the preparation of various other compounds, contributing to the diversity of chemical libraries and facilitating the discovery of new molecules with specific applications in different industries.
While the provided materials do not specify particular industries or reasons for the applications, the general uses outlined above reflect the compound's relevance in the broader scope of chemical and medicinal research and development. If more specific applications are identified in future research, they can be added to the list accordingly.

Check Digit Verification of cas no

The CAS Registry Mumber 211949-57-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,1,9,4 and 9 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 211949-57:
(8*2)+(7*1)+(6*1)+(5*9)+(4*4)+(3*9)+(2*5)+(1*7)=134
134 % 10 = 4
So 211949-57-4 is a valid CAS Registry Number.
InChI:InChI=1/C6H4N2OS/c10-6-8-5-4(9-6)2-1-3-7-5/h1-3H,(H,7,8,10)

211949-57-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name [1,3]Oxazolo[4,5-b]pyridine-2-thiol

1.2 Other means of identification

Product number -
Other names -

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:211949-57-4 SDS

211949-57-4Relevant articles and documents

HMOX1 inducers

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Page/Page column 148, (2020/09/18)

The present invention is related to compounds of structure (I) as heme oxygenase 1 (HMOX 1) inducers. The present invention is also related a method of controlling the activity or the amount, or both the activity and the amount, of heme-oxygenase 1 in a mammalian subject. The definitions of the variables are provided herein.

Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies

Gummadi, Venkateshwar Rao,Boruah, Anima,Ainan, Bharathi Raja,Vare, Brahma Reddy,Manda, Srinivas,Gondle, Hari Prakash,Kumar, Shiva Nagendra,Mukherjee, Subhendu,Gore, Suraj T.,Krishnamurthy, Narasimha Rao,Marappan, Sivapriya,Nayak, Shilpa S.,Nellore, Kavitha,Balasubramanian, Wesley Roy,Bhumireddy, Archana,Giri, Sanjeev,Gopinath, Sreevalsam,Samiulla, Dodheri S.,Daginakatte, Girish,Basavaraju, Aravind,Chelur, Shekar,Eswarappa, Rajesh,Belliappa, Charamanna,Subramanya, Hosahalli S.,Booher, Robert N.,Ramachandra, Murali,Samajdar, Susanta

supporting information, p. 2374 - 2381 (2020/11/18)

Small molecule potent IRAK4 inhibitors from a novel bicyclic heterocycle class were designed and synthesized based on hits identified from Aurigene's compound library. The advanced lead compound, CA-4948, demonstrated good cellular activity in ABC DLBCL and AML cell lines. Inhibition of TLR signaling leading to decreased IL-6 levels was also observed in whole blood assays. CA-4948 demonstrated moderate to high selectivity in a panel of 329 kinases as well as exhibited desirable ADME and PK profiles including good oral bioavailability in mice, rat, and dog and showed >90% tumor growth inhibition in relevant tumor models with excellent correlation with in vivo PD modulation. CA-4948 was well tolerated in toxicity studies in both mouse and dog at efficacious exposure. The overall profile of CA-4948 prompted us to select it as a clinical candidate for evaluation in patients with relapsed or refractory hematologic malignancies including non-Hodgkin lymphoma and acute myeloid leukemia.

ISOINDOLINES AS HDAC INHIBITORS

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Paragraph 00149, (2019/11/12)

The present disclosure relates to inhibitors of zinc-dependent histone deacetylases (HDACs), having the formula: (I) wherein Z, X1, X2, Y1, Y2, Y3, L, Z, and R are described herein.

Compounds for Pain Treatment, Compositions Comprising Same, and Methods of Using Same

-

Paragraph 0166, (2019/12/24)

The invention relates to compounds of formula (I), compositions containing the same, and methods for treating and/or diminishing pain in a subject in need thereof. The compounds of formula (I) are effective for treating opioid-induced tachyphylaxis and op

An environmentally benign and efficient synthesis of substituted benzothiazole-2-thiols, benzoxazole-2-thiols, and benzimidazoline-2-thiones in water

Liu, Xing,Liu, Min,Xu, Wan,Zeng, Meng-Tian,Zhu, Hui,Chang, Cai-Zhu,Dong, Zhi-Bing

, p. 5591 - 5598 (2017/12/06)

An efficient and practical method for the one-step synthesis of benzothiazole-2-thiols, benzoxazole-2-thiols and benzimidazoline-2-thiones by cyclization of 2-aminothiophenols, 2-aminophenols, and 1,2-phenylenediamines with tetramethylthiuram disulfide (TMTD) in water was described. The features of this method include metal/ligand-free, excellent yield, short reaction time and broad substrate scope. The method provides a facile and convenient preparation of some potentially biologically active compounds.

General Entry into o-,o′-Heteroatom-Linked N-(Hetero)aryl-Imidazole Motifs by Gold-Catalysed Formal [3+2]-Dipolar Cycloaddition

Garzón, Miguel,Arce, Elsa M.,Reddy, Raju Jannapu,Davies, Paul W.

supporting information, p. 1837 - 1843 (2017/06/09)

A general redox-neutral approach into the o-,o′-heteroatom-linked N-(hetero)aryl-imidazole family of heteroaromatics has been developed. New types of heteroatom substituted carbimidoyl nitrenoids are efficiently realised from robust, bench-stable N-(heteroaryl)-pyridinium-N-aminides by formal gold-catalysed [3+2]-dipolar cycloadditions across ynamides. Broad structural variety and functional group tolerance allows rapid access into diverse functionalised scaffolds, as exemplified by the preparation of 8 different heteroaromatic cores. (Figure presented.).

Oxazolo[4,5-b]pyridine-Based Piperazinamides as GSK-3β Inhibitors with Potential for Attenuating Inflammation and Suppression of Pro-Inflammatory Mediators

Tantray, Mushtaq A.,Khan, Imran,Hamid, Hinna,Alam, Mohammad Sarwar,Dhulap, Abhijeet,Ganai, Ajaz Ahmad

, (2017/08/07)

Recent studies reveal that glycogen synthase kinase-3β (GSK-3β) acts as a pro-inflammatory enzyme, and by inhibiting this kinase, inflammation can be controlled. In this regard, a series of 17 piperazine-linked oxazolo[4,5-b]pyridine-based derivatives was

BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS

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Paragraph 0205; 0206, (2016/12/16)

The present invention provides bicyclic heterocyclyl kinase enzyme inhibitor compounds of formula (I), which are therapeutically useful as kinase inhibitors, particularly IRAK4 inhibitors, wherein A, Y, Z, X1, X2, R1, R3, ‘m’, ‘n’ and ‘p’ have the meanings given in the specification and pharmaceutically acceptable salt or stereoisomer thereof that are useful in the treatment and prevention of diseases or disorder, in particular their use in diseases or disorder mediated by kinase enzyme, particularly IRAK4 enzyme. The present invention also provides pharmaceutical composition comprising at least one of the compounds of compound of formula (I) together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS

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Page/Page column 36, (2015/07/23)

The present invention provides bicyclic heterocyclyl kinase enzyme inhibitor compounds of formula (I), which are therapeutically useful as kinase inhibitors, particularly IRAK4 inhibitors. wherein A, Y, Z, X1, X2, X3, R1, R3, 'm', 'n' and 'p' have the meanings given in the specification and pharmaceutically acceptable salt or stereoisomer thereof that are useful in the treatment and prevention of diseases or disorder, in particular their use in diseases or disorder mediated by kinase enzyme, particularly IRAK4 enzyme. The present invention also provides pharmaceutical composition comprising at least one of the compounds of compound of formula (I) together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

Synthesis and structure-activity relationship (SAR) study of 4-azabenzoxazole analogues as H3 antagonists

Shao, Ning,Aslanian, Robert,West Jr., Robert E.,Williams, Shirley M.,Wu, Ren-Long,Hwa, Joyce,Sondey, Christopher,Lachowicz, Jean,Palani, Anandan

scheme or table, p. 2075 - 2078 (2012/04/05)

The synthesis and SAR of a novel series of 4-azabenzoxazole histamine H3 antagonists is described. Introduction of substituted phenyl, pyridyl and fused heterocyclic groups to the 6-position of the 4-azabenzoxazole core gave a series of compounds with good H3 antagonist activity in both ex vivo and in vivo assays.

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