5-((4-((2-Carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acid

HCID 54585CAS 80573-04-2

기본 정보

표준 SMILES
O=C(O)CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1
InChIKey
IPOKCKJONYRRHP-UHFFFAOYSA-N
분자식
C17H15N3O6
평균 분자량
357.32 g/mol
단동위원소 질량
357.0960852

개요

Balsalazide is a monohydroxybenzoic acid consisting of 5-aminosalicylic acid (mesalazine) linked to 4-aminobenzoyl-beta-alanine via an azo bond. It has a role as a non-steroidal anti-inflammatory drug, an anti-ulcer drug, a prodrug and a gastrointestinal drug. It is a conjugate acid of a balsalazide(2-).

이름 및 식별자

우선 이름
5-((4-((2-Carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acid
IUPAC
5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
영어명
Balsalazide
분자식
C17H15N3O6
분자량
357.32

이름 및 동의어

5-((4-((2-carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acidDTXSID508610275-({4-[(2-Carboxyethyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoic acidRefChem:1072307DTXCID10810339BALSALAZIDE80573-04-2BalsalazidoBalsalazidaBalsalazidumBalsalazidum [Latin]Balsalazida [Spanish]
이름 더 보기
CS-1360BalsalazineBalsalazide D4Balsalazide 98%BALSALAZIDE SODIUM
Balsalazido [Spanish](E)-5-((4-((2-Carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acidColazalGiazo(E)-5-((4-(((2-Carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoic acidColazideBalsalazide (INN)DTXSID7040653

데이터베이스 식별자

CAS
80573-04-2
PubChem CID
54585
DTXSID
DTXSID50861027
ChEMBL
CHEMBL1208641
ChEBI
CHEBI:267413
UNII
P80AL8J7ZP

물성

구조 계산 물성

XLogP
2.2
극성 표면적
149 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
26

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
SolubilityFreely soluble as disodium salt

물리화학적 성질

녹는점
254 · 254-255C
끓는 점
729.6 · 729.6±60.0 °C(Predicted)
밀도
1.44 · 1.44±0.1 g/cm3(Predicted)
증기압
0 Pa · 0Pa at 20℃
저장 조건
-20 °C · -20°C Freezer
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

Yellow Solid

화학 및 산업

약리 정보

Protein Binding≥99%
Pharmacodynamics · 1건

Balsalazide is a prodrug that has little or no pharmacologic activity until it is enzymatically cleaved in the colon to produce mesalamine (5-aminosalicylic acid), an anti inflammatory drug indicated for the treatment of mildly to moderately active ulcerative colitis. Balsalazide disodium is delivered intact to the colon where it is cleaved by bacterial azoreduction to release equimolar quantities of mesalamine, which is the therapeutically active portion of the molecule, and the intert 4-aminobenzoyl-(beta)-alanine. As a result, the spectrum of pharmacologic activity of balsalazide is similar to that of mesalamine.

Mechanism of Action · 1건

The mechanism of action of 5-aminosalicylic acid is unknown, but appears to exert its anti-inflammatory effects locally (in the GI tract) rather than systemically. Mucosal production of arachidonic acid metabolites, both through the cyclooxygenase pathways (catalyzes the formation of prostaglandin precursors from arachidonic acid), and through the lipoxygenase pathways (catalyzes the formation of leukotrienes and hydroxyeicosatetraenoic acids from arachidonic acid and its metabolites), is increased in patients with chronic inflammatory bowel disease. Therefore, it is possible that 5-aminosalicylic acid diminishes inflammation by blocking production of arachidonic acid metabolites in the colon through both the inhibition of cyclooxygenase and lipoxygenase.

Biological Half-LifeHalf-life could not be determined.
Metabolism/MetabolitesCleaved in the colon via bacterial azoreduction to 5–aminosalicylic acid (5–ASA) and 4–aminobenzoyl-beta-alanine, the inactive carrier moiety.
Absorption, Distribution and Excretion · 2건

Low and variable, intact balsalazide is poorly absorbed systemically.

The products of the azoreduction of this compound, 5-ASA and 4-aminobenzoyl-ß-alanine, and their N-acetylated metabolites have been identified in plasma, urine and feces. Following single-dose administration of 2.25 g COLAZAL (three 750 mg capsules) under fasting conditions in healthy subjects, mean urinary recovery of balsalazide, 5-ASA, and N-Ac-5-ASA was 0.20%, 0.22% and 10.2%, respectively.

응용 분야 · 2건

개요Balsalazide is a prodrug form of 5-aminosalicylic acid (5-ASA; ). It is cleaved by bacterial azoreductases in the intestinal lumen to release 5-ASA. Balsalazide (600 mg/kg per day) decreases IL-2 levels and increases IL-6 levels in the serum and colonic mucosa membrane, as well as decreases micro- and macroscopic colonic damage, in a rat model of colitis induced by 2,4-dinitrochlorobenzene (DNCB). Formulations containing balsalazide have been used in the treatment of ulcerative colitis.

용도An analogue of Sulfasalazine, A prodrug of 5-Aminosalicylic Acid

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

추가 설명

정의ChEBI: A monohydroxybenzoic acid consisting of 5-aminosalicylic acid (mesalazine) linked to 4-aminobenzoyl-beta-alanine via an azo bond.

관련 반응

5건

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