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3-Iodo-7-aza-1H-azaindazole is an organic compound characterized by its pale yellow solid appearance. It is a derivative of azaindazole, a heterocyclic compound with potential applications in various fields due to its unique chemical properties.

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  • 117007-52-0 Structure
  • Basic information

    1. Product Name: 3-Iodo-7-aza-1H-azaindazole
    2. Synonyms: 3-Iodo-7-aza-1H-azaindazole;3-iodo-1H-pyrazolo[3,4-b]pyridine;3-Iodo-;3-Iodo-1H-pyrazolo[3,4-b]...;1H-Pyrazolo[3,4-b]pyridine, 3-iodo-;3-Iodo-7-aza-1H-indazole;3-iodo-2H-pyrazolo[3,4-b]pyridine
    3. CAS NO:117007-52-0
    4. Molecular Formula: C6H4IN3
    5. Molecular Weight: 245.02
    6. EINECS: N/A
    7. Product Categories: Aromatics;Heterocycles
    8. Mol File: 117007-52-0.mol
  • Chemical Properties

    1. Melting Point: 177-179°C
    2. Boiling Point: 379.827 °C at 760 mmHg
    3. Flash Point: 183.513 °C
    4. Appearance: /
    5. Density: 2.22 g/cm3
    6. Refractive Index: 1.81
    7. Storage Temp.: -20?C Freezer
    8. Solubility: Chloroform, DMSO
    9. PKA: 7.96±0.40(Predicted)
    10. CAS DataBase Reference: 3-Iodo-7-aza-1H-azaindazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Iodo-7-aza-1H-azaindazole(117007-52-0)
    12. EPA Substance Registry System: 3-Iodo-7-aza-1H-azaindazole(117007-52-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 36/37/38
    3. Safety Statements: 26-37/39
    4. RIDADR: UN2811
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 117007-52-0(Hazardous Substances Data)

117007-52-0 Usage

Uses

Used in Pharmaceutical Industry:
3-Iodo-7-aza-1H-azaindazole is used as a key intermediate compound for the preparation of azaindazole compounds, which serve as CCR1 antagonists. These antagonists are important in the development of medications targeting various inflammatory and immune disorders, as they help modulate the immune response by blocking the action of chemokine receptors.
The specific application of 3-Iodo-7-aza-1H-azaindazole in the pharmaceutical industry lies in its role as a building block for creating more complex and targeted therapeutic molecules. Its unique structure allows for the development of CCR1 antagonists with improved efficacy and selectivity, potentially leading to more effective treatments for a range of conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 117007-52-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,0,0 and 7 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 117007-52:
(8*1)+(7*1)+(6*7)+(5*0)+(4*0)+(3*7)+(2*5)+(1*2)=90
90 % 10 = 0
So 117007-52-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H4IN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)

117007-52-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Iodo-1H-pyrazolo[3,4-b]pyridine

1.2 Other means of identification

Product number -
Other names 3-iodo-2H-pyrazolo[3,4-b]pyridine

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:117007-52-0 SDS

117007-52-0Relevant articles and documents

Synthesis and biological evaluation of novel pyrazolo[3,4-b]pyridines as cis-restricted combretastatin A-4 analogues

Jian, Xie-Er,Jiang, Cui-Shan,Yang, Fang,You, Wen-Wei,Zhao, Pei-Liang

, (2020)

Twenty-six novel pyrazolo[3,4-b]pyridine-bridged analogues of combretastatin A-4 possessing 3,4,5-trimethoxylphenyl groups, were synthesized and evaluated for their antiproliferative and tubulin polymerization inhibitory activities. Preliminary biological evaluation demonstrated that some of the target compounds displayed significant antiproliferative effect against four different cell lines including MCF-7, MDA-MB-231, HeLa and Kyse150. The most active analogue 6n was found to induce HeLa cells arrest in the G2/M phase in a dose-dependent manner. Molecular modeling studies indicated that derivative 6n most likely occupies the colchicine site of tubulin. The initial results suggest that the 3,4,5-trimethoxyphenyl substituted pyrazolo[3,4-b]pyridine could serve as a promising scaffold for development of potent tubulin inhibitors as anticancer agents.

Selective C-H Iodination of (Hetero)arenes

Tanwar, Lalita,B?rgel, Jonas,Lehmann, Johannes,Ritter, Tobias

, p. 5024 - 5027 (2021)

Iodoarenes are versatile intermediates and common synthetic targets in organic synthesis. Here, we present a strategy for selective C-H iodination of (hetero)arenes with a broad functional group tolerance. We demonstrate the utility and differentiation to other iodination methods of supposed sulfonyl hypoiodites for a set of carboarenes and heteroarenes.

BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME

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Paragraph 0201; 0202, (2018/08/07)

Provided is a compound showing excellent antifungal activity against Trichophyton fungus, which is a major causative microorganism of superficial mycosis, and high effectiveness on diseases caused by Trichophyton fungi. A biaryl derivative represented by the formula (I) or a salt thereof: wherein ring A is an optionally substituted phenyl, or an optionally substituted 5- or 6-membered ring heteroaryl (ring A may be further condensed to form an optionally substituted fused ring); Q is CH2, C=O, NH, O, S or the like; X1, X2 and X3 are CR1 or N; Y is CH or N; Z is CR2b or N; R2a and R2b are each a hydrogen atom, a halogen atom, an optionally substituted C1-C6 alkyl group, a C1-C6 haloalkyl group or the like; R2a and R2b may form, together with carbon atoms bonded thereto, an optionally substituted carbocycle, or an optionally substituted heterocycle.

PHARMACEUTICALS COMPRISING BIARYL DERIVATIVES OR SALTS THEREOF

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Paragraph 0210; 0211; 0212, (2018/10/24)

PROBLEM TO BE SOLVED: To provide compounds with excellent antimycotic activity against Trichophyton. SOLUTION: The invention provides pharmaceuticals comprising biaryl derivatives represented by general formula (I) or salts thereof, where ring A is optionally substituted phenyl or the like; Q is CH2 or the like; X1, X2 and X3 are CR1 or the like; and Y is CH or N. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT

PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS

-

, (2016/07/05)

Compounds of the general formula(I): (I) processes for the preparation of these compounds, compositions containing these compounds, and the uses of these compounds.

Use of 3-(trifluoromethyl)-1H-pyrazolo-[3,4-b]pyridine as a versatile building block

Schirok, Hartmut,Griebenow, Nils,Fürstner, Chantal,Dilmac, Alicia M.

, p. 5597 - 5601 (2015/08/03)

A one-pot multigram synthesis of 3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine starting from 2-fluoropyridine using directed ortho metallation (DoM) technique is described. The compound contains an anionically activatable trifluoromethyl group and is a versatile building block for the microwave assisted synthesis of 3-substituted 1H-pyrazolo[3,4-b]pyridines.

PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS

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Page/Page column 52, (2014/01/17)

The present invention provides a compound of formula I: (I) a method for manufacturing the compounds of the invention, and its therapeutic uses as complement alternative inhibitors for the treatment of ocular diseases. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

Design, synthesis and evaluation of 7-azaindazolyl-indolyl-maleimides as glycogen synthase kinase-3β (GSK-3β) inhibitors

Ye, Qing,Shen, Yanhong,Zhou, Yubo,Lv, Dan,Gao, Jianrong,Li, Jia,Hu, Yongzhou

, p. 361 - 371 (2013/10/01)

A series of 7-azaindazolyl-indolyl-maleimides were designed, synthesized and evaluated for their GSK-3β inhibitory activity. Most compounds exhibited potent activity against GSK-3β. Among them, compounds 17a, 17b, 17g, 17i, 29a and 30 significantly reduced Aβ-induced Tau hyperphosphorylation, showin;g the inhibition of GSK-3β at the cell level. Preliminary structure-activity relationships were discussed based on the experimental data obtained.

INDAZOLEPROPIONIC ACID AMIDE COMPOUND

-

, (2012/02/01)

Disclosed is a compound which is useful in preventing and treating cardiac arrhythmia such as atrial fibrillation. A compound represented by formula (1) or a pharmaceutically acceptable salt of the same. In formula (1), ring X represents benzene or pyridine; R1 represents an optionally substituted alkyl group; R2 represents an optionally substituted aryl group, an optionally substituted heterocyclic group, an optionally substituted arylalkyl group or an optionally substituted heterocyclic group-substituted alkyl group; R3, R4, R5, R6, R7, R8 and R9 represent each hydrogen or an alkyl group, provided that R3 and R5 may be bonded to each other to form, together with the carbon atom adjacent thereto, a cycloalkyl group; and m represents 0 or 1.

SOLUBLE GUANYLATE CYCLASE ACTIVATORS

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, (2011/12/14)

A compound of Formula (I): or a pharmaceutically acceptable salt thereof, are capable of modulating the body's production of cyclic guanosine monophosphate ("cGMP") and are generally suitable for the therapy and prophylaxis of diseases which are associated with a disturbed cGMP balance. The invention furthermore relates to processes for preparing compounds of Formula I , or a pharmaceutically acceptable salt thereof, for their use in the therapy and prophylaxis of the above mentioned diseases and for preparing pharmaceuticals for this purpose, and to pharmaceutical preparations which comprise compounds of Formula (I) or a pharmaceutically acceptable salt thereof

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