기본 정보
- CAS
115436-72-1- 표준 SMILES
O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+]- InChIKey
DRFDPXKCEWYIAW-UHFFFAOYSA-M- 분자식
- C7H10NNaO7P2
- 평균 분자량
- 305.09 g/mol
- 단동위원소 질량
- 304.98301994
개요
Risedronate sodium is a 1,1-bis(phosphonic acid).
이름 및 식별자
- 우선 이름
- Risedronate Sodium
- IUPAC
- sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate
- 영어명
- Sodium risedronate
- 분자식
- C7H12NNaO7P2
- 분자량
- 307.11
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
115436-72-1、122458-82-6- PubChem CID
- 4194514
- DTXSID
DTXSID20924178- ChEMBL
CHEMBL1654- ChEBI
CHEBI:8868- UNII
- OFG5EXG60L
- EC Number
- 601-362-8、658-043-1
물성
구조 계산 물성
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 375
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 252 · 252-262°C
- 저장 조건
- room temp
- 용해도
- 2 O: · H2O: 용해성5mg/mL, 투명(따뜻한)
- 물리적 상태
- 가루
- 색상
- 흰색에서 베이지색
- 수용성
- 10 mM · Soluble to 10 mM in water
- BCS Class
- 3 · 3
- 안정성
- 흡습성
- InChI
- InChI=1S/C7H11NO7P2.Na.H/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);;
- InChIKey
- PCLICMBIUMBJSL-UHFFFAOYSA-N
- SMILES
- C(O)(P(O)(O)=O)(P(O)(O)=O)CC1=CN=CC=C1.[NaH]
화학적 성질
Fine White to Off-White Crystalline Powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302+H312+H332 (86.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
독성 정보
Toxicity Summary
The action of risedronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Risedronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.
Signs and Symptoms
Side effects include abdominal pain, anxiety, back pain, belching, bladder irritation, bone disorders and pain, bronchitis, bursitis, cataracts, chest pain, colitis, constipation, depression, diarrhea, difficulty breathing, dizziness, dry eyes, eye infection, flu-like symptoms, gas, headache, high blood pressure, infection, insomnia, itching, joint disorders and pain, leg cramps, muscle pain, muscle weakness, nausea, neck pain, nerve pain, pain, pneumonia, rash, ringing in ears, sinus problems, sore throat, stomach bleeding, stuffy or runny nose, swelling, tendon problems, tumor, ulcers, urinary tract infection, vertigo, vision problems, and weakness.
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Risedronate sodium
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- 3
- rtecs
- SZ8567500
- HS 번호
- 29333990
- risk_code
- 62-64
- safety_code
- 20-22-36/37
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/Metabolites
No evidence found for metabolization of risedronate in humans or mammals. Route of Elimination: Risedronate is excreted unchanged primarily via the kidney. Insignificant amounts (<0.1% of intravenous dose) of drug are excreted in the bile in rats. Half Life: 1.5 hours
FDA Pharmacological Classification
RISEDRONATE SODIUM
Diphosphonates [CS]; Bisphosphonate [EPC]
MeSH Pharmacological Classification
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.
용도 및 제조
응용 분야
개요Risedronate sodium was launched as Actonel in the US for treatment of Paget's disease. Risedronic acid is readily obtained by condensation of 2-(3- pyridyl)acetic acid with phosphorous acid in presence of phosphorus oxychloride. Risedronate sodium is an orally active bisphosphonate of third generation, showing more potent bone antiresorptive properties than most of prior bisphosphonates like etidronate which has been used for the same indication since 1978. The biological mechanism by which Risedronate, and generally bisphosphonates, act is not quite clear presently ; recent advances have suggested that aminobisphosphonates interfere with the HMG-CoA pathway and inhibit protein prenylation, causing apoptosis of osteoclasts and macrophages. These apoptotic effects are correlated to the anti-resorptive properties of this class of compounds. In a 2 month clinical trial involving patients with Paget's desease, 30 mg risedronate daily achieved an appreciable reduction of serum alkaline phosphatase levels, an indicator of bone stabilization, in 77% of patients, compared with 11% on etidronate at 400 mg daily for 6 months. Risedronate is also in development for the treatment and prevention of various bone diseases, particularly post-menopausal and corticosteroid-induced osteoporosis.
용도Risedronic Acid is a pyridinyl biphosphonate bone resorption inhibitor.
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