Catalog No.:AA001PQ4

15788-16-6 | 1H-Benzimidazole-5-carboxylic acid

Name: Name:1H-Benzimidazole-5-carboxylic acid
Brand: AABLOCKS
SKU: AA001PQ4
Availability: InStock
Rating: 90 (10 reviews)

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250mg

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in stock

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97%

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$11.00 $8.00

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97%

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10g

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25g

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100g

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Technical Information
Properties
Upstream Synthesis Route
Downstream Synthesis Route
Literature
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Technical Information
Properties
Upstream Synthesis Route
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA001PQ4

Chemical Name:

1H-Benzimidazole-5-carboxylic acid

CAS Number:

15788-16-6

Molecular Formula:

C8H6N2O2

Molecular Weight:

162.1454

MDL Number:

MFCD00011555

SMILES:

OC(=O)c1ccc2c(c1)[nH]cn2

Properties

BP:

288.82°C (rough estimate)

Form:

Solid

MP:

>300 °C(lit.)

Refractive Index:

1.5770 (estimate)

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Complexity:

196

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

1.3

Upstream Synthesis Route

15788-16-6

116568-17-3

[1]BulletinoftheChemicalSocietyofJapan,1958,vol.31,p.252

[2]TetrahedronLetters,1999,vol.40,#9,p.1623-1626

541-41-3

15788-16-6

116568-17-3

[1]BiochemischeZeitschrift,1956,vol.327,p.422,447

124-38-9

4887-88-1

15788-16-6

[1]Molecules,2017,vol.22,#11,

26663-77-4

15788-16-6

[1]Patent:WO2014/121062,2014,A1,.Locationinpatent:Page/Pagecolumn35

64-18-6

528-45-0

15788-16-6

[1]ChemSusChem,2015,vol.8,#18,p.3029-3035

Downstream Synthesis Route

614-97-1

15788-16-6

[1]BulletinoftheChemicalSocietyofJapan,1958,vol.31,p.252

[2]ZhurnalObshcheiKhimii,1953,vol.23,p.835,837;engl.Ausg.S.873,875

541-41-3

15788-16-6

116568-17-3

[1]BiochemischeZeitschrift,1956,vol.327,p.422,447

15788-16-6

116568-17-3

[1]BulletinoftheChemicalSocietyofJapan,1958,vol.31,p.252

[2]TetrahedronLetters,1999,vol.40,p.1623-1626

15788-16-6

106429-29-2

[1]Álvarez,Raquel;Gajate,Consuelo;Puebla,Pilar;Mollinedo,Faustino;Medarde,Manuel;Peláez,Rafael[EuropeanJournalofMedicinalChemistry,2018,vol.158,p.167-183]

[2]Suh,Young-Ger;Lee,Yong-Sil;Min,Kyung-Hoon;Park,Ok-Hui;Kim,Jin-Kwan;Seung,Ho-Sun;Seo,Seung-Yong;Lee,Bo-Young;Nam,Yeon-Hee;Lee,Kwang-Ok;Kim,Hee-Doo;Park,Hyeung-Geun;Lee,Jeewoo;Oh,Uhtaek;Lim,Ju-Ok;Kang,Sang-Uk;Kil,Min-Jung;Koo,Jae-Yeon;Shin,SongSeok;Joo,Yung-Hyup;Kim,JinKwan;Jeong,Yeon-Su;Kim,Sun-Young;Park,Young-Ho[JournalofMedicinalChemistry,2005,vol.48,#18,p.5823-5836]

[3]CurrentPatentAssignee:VIVORYONTHERAPEUTICSAG-US2008/262063,2008,A1Locationinpatent:Page/Pagecolumn28-29

[4]CurrentPatentAssignee:VIVORYONTHERAPEUTICSAG-US2008/267911,2008,A1Locationinpatent:Page/Pagecolumn36

[5]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-EP3896062,2021,A1Locationinpatent:Paragraph0157-0158

[6]Sun;Gatto;Yu;Liu;Liu;LaVoie[JournalofMedicinalChemistry,1995,vol.38,#18,p.3638-3644]

82004-77-1

64-19-7

15788-16-6

158922-07-7

N-Fmoc-β-methyl-L-Trp

6-amino-2-2-1-(3H-benzoimidazole-5-carbonyl)-piperidine-3-carbonyl-amino}-3-(1H-indol-3-yl)-butyrylamino-hexanoicacidtert-butylester;compoundwithaceticacid

[1]Zhou,Changyou;Guo,Liangqin;Morriello,Greg;Pasternak,Alex;Pan,Yanping;Rohrer,SusanP.;Birzin,ElizebethT.;Huskey,Su-ErWu;Jacks,Tom;Schleim,KlausD.;Cheng,Kang;Schaeffer,JamesM.;Patchett,ArthurA.;Yang,Lihu[BioorganicandMedicinalChemistryLetters,2001,vol.11,#3,p.415-417]

Literature

Title: Fragment-based design of symmetrical bis-benzimidazoles as selective inhibitors of the trimethoprim-resistant, type II R67 dihydrofolate reductase.

Journal: Journal of medicinal chemistry 20120412

Title: Ethyl 1-(2-hy-droxy-eth-yl)-2-propyl-1H-benzimidazole-5-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: Poly[μ-aqua-diaqua(μ(3)-1H-benzimid-azole-5-carboxylato-κN:O,O')(μ(2)-1H-benzimidazole-5-carboxylato-κN:O:O')-μ(5)-sulfato-μ(4)-sulfato-tri-cadmium].

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors.

Journal: European journal of medicinal chemistry 20110501

Title: Flexible and asymmetric ligand in constructing coordinated complexes: synthesis, crystal structures and fluorescent characterization.

Journal: International journal of molecular sciences 20110101

Title: Synthesis and antitumor activity of novel benzimidazole-5-carboxylic acid derivatives and their transition metal complexes as topoisomerease II inhibitors.

Journal: European journal of medicinal chemistry 20101201

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 1-(5-Carboxyindol-1-yl)propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha: synthesis and properties of bioisosteric benzimidazole, benzotriazole and indazole analogues.

Journal: Bioorganic & medicinal chemistry letters 20090415

Title: New transition metal ion complexes with benzimidazole-5-carboxylic acid hydrazides with antitumor activity.

Journal: European journal of medicinal chemistry 20090401

Title: Discovery, SAR and X-ray structure of 1H-benzimidazole-5-carboxylic acid cyclohexyl-methyl-amides as inhibitors of inducible T-cell kinase (Itk).

Journal: Bioorganic & medicinal chemistry letters 20081015

Title: Double fluorescence conversion in ultraviolet and visible region for some praseodymium complexes of aromatic carboxylates.

Journal: Journal of fluorescence 20060701

Title: Synthesis and potent antimicrobial activity of some novel methyl or ethyl 1H-benzimidazole-5-carboxylates derivatives carrying amide or amidine groups.

Journal: Bioorganic & medicinal chemistry 20050301

Title: Methods for generation of monoclonal antibodies to the very small drug hapten, 5-benzimidazolecarboxylic acid.

Journal: Journal of immunological methods 20021220

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