Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
p-Aminohippuric acid
PAH · P-AMINOHIPPURIC ACID · POLYNUCLEAR AROMATIC HYDROCARBONS · 2-[(4-aminobenzoyl)amino]acetic acid · paha · Nefrotest · N-glycine · Aminohippuric
식별자 및 물리적 특성
| CAS No. | 61-78-9 |
|---|---|
| 분자식 | C9H10N2O3 |
| 평균 분자량 | 194.19 g/mol |
| 단동위원소 질량 | 194.06914219 g/mol |
| SMILES | Nc1ccc(C(=O)NCC(=O)O)cc1 |
| InChIKey | HSMNQINEKMPTIC-UHFFFAOYSA-N |
| PubChem CID | 2148 |
| ChEMBL | CHEMBL463 |
| ChEBI | CHEBI:104011 |
| EC No. | 200-518-9 |
| DTXSID | DTXSID7022590 |
화학 및 물리적 성질
| XLogP | -0.9 |
|---|---|
| 극성 표면적 | 92.4 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 222 |
| 물질 분류 | Nitrogen Compounds -> Amino Carboxylic Acids |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| LogP(분배 계수) | Log P= -0.89 |
| Color/Form | NEEDLES FROM HOT WATERPRISMS FROM WATERWHITE, CRYSTALLINE POWDER |
| 용해도 | Slightly solubleSOL IN WATER /P-AMINOHIPPURIC ACID SODIUM/1 G SOL IN 45 ML WATERSOL IN CHLOROFORMBENZENEACETONEALCOHOLPRACTICALLY INSOL IN ETHERCARBON TETRACHLORIDEFREELY SOL IN SOLN OF ALKALI HYDROXIDES WITH SOME DECOMPDMF: 33 mg/mlDMF:PBS (pH7.2) (1:30): 0.03 mg/mlDMSO: 20 mg/ml |
| 녹는점 | 199-200 °C198-199 °C198.5 °C199-200 °C (dec.)(lit.) |
| 증기압 | 0.00000004 [mmHg] |
| Physical Description | White solidDiscolors upon exposure to light[Hawley] Off-white or white powder[MSDSonline] |
| Stability/Shelf Life | Discolors on exposure to light |
| Dissociation Constants | 3.83PKA: 4.0 |
| Collision Cross Section | 155.3 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]153.7 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| Other Experimental Properties | AQ SOLN ARE ALKALINE /P-AMINOHIPPURIC ACID SODIUM/Forms a water-soluble sodium salt. |
| 끓는 점 | 330.62°C (rough estimate) |
| 밀도 | 1.356 |
| 굴절률 | 1.5600 (estimate) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | pKa 3.8 (Uncertain) |
| 색상 | 회백색에서 회색을 띤다 |
| pH | 3.0-3.5 (20g/l, H2O, 20℃) |
| 용해도 | 알코올, 에 용해됨클로로포름, 벤젠, 아세톤에 용해됩니다. 물, 에테르, 탄소 및 사염화물에 용해되지 않습니다. |
| Merck | 14,442 |
| BRN | 1213676 |
| 주요 응용 | 세포 분석 |
| InChI | 1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13) |
| InChIKey | HSMNQINEKMPTIC-UHFFFAOYSA-N |
| SMILES | Nc1ccc(cc1)C(=O)NCC(O)=O |
| EPA | P-Aminohippuric acid (61-78-9) |
화학적 성질
off-white to greyish crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Glycine, N-(4-aminobenzoyl)-Glycine, N-(4-aminobenzoyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| 유해성 요약 | Emergency treatment: symptomatic drug parenteral exposure[HSDB] May cause irritation[MSDSonline] |
| FDA 요건 | Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392). |
| Hazard Classes and Categories | Acute Tox. 3 (50%) |
| 처리 방법 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| 상호 작용 | ...DRUGS THAT SHARE A COMMON EXCRETORY PATHWAY WITH PAH (EG, PENICILLIN), THOSE THAT INHIBIT RENAL TUBULAR TRANSPORT (EG, PROBENECID), OR THOSE THAT HAVE A URICOSURIC EFFECT (EG, SALICYLATES) CAN INTERFERE WITH PAH CLEARANCE.RENAL EXCRETION OF HALOFENATE IS...DIMINISHED BY...P-AMINOHIPPURATE /IN CHIMPANZEES/ @ ALL OBSERVED URINARY PH VALUES.Patients receiving drugs that employ the same tubular excretory mechanism as PAH may exhibit mutually decreased excretion of the drugs because of competitive inhibition. Agents that share a common excretory mechanism include diuretics, iodopyracet, penicillin, phenolsulfonphthalein, probenecid, and saliclyates. |
용도
개요
4-Aminohippuric acid is a substrate for various renal transporters that has been used in the study of anion uptake in the kidney. It is a substrate for organic anion transporter 1 (OAT1; Km = 14.3 μM in X. laevis oocytes), the human inorganic phosphate transporter (NPT1; Km = 2.66 mM in HEK293 cells), and apical multidrug resistance protein (MDR2; Km = 880 μM in HEK293 cells). 4-Aminohippuric acid is a glycine amide form of 4-aminobenzoic acid . Formulations containing 4-aminohippuric acid have been used as markers to determine renal plasma flow.
용도
4-Aminohippuric Acid is used in the measurement of renal plasma flow as a diagnostic tool which may be applied towards kidney disorders.
일반 설명
Renal tubules secretes para amino hippuric acid/PAH.