Adefovir

PMEA · 9-[2-(PHOSPHONOMETHOXY)ETHYL]ADENINE · GS-393 · gs0393 · Adefovi · ADEFOVIR · A Duff Vee · Adefovir98%

https://huagongshe.com/ko/chemical/60172

식별자 및 물리적 특성

CAS No.	106941-25-7
분자식	C8H12N5O4P
평균 분자량	273.19 g/mol
단동위원소 질량	273.06269049 g/mol
SMILES	Nc1ncnc2c1ncn2CCOCP(=O)(O)O
InChIKey	SUPKOOSCJHTBAH-UHFFFAOYSA-N
PubChem CID	60172
ChEMBL	CHEMBL484
ChEBI	CHEBI:2469
EC No.	600-789-7
DTXSID	DTXSID6046214

화학 및 물리적 성질

XLogP	-2
극성 표면적	136
수소 결합 공여자 수	3
수소 결합 수용자 수	8
회전 가능 결합 수	5
무거운 원자 수	18
형식 전하	0
복잡도	327
의약품	Pharmaceuticals -> Listed in ZINC15
Color/Form	Off-white crystalline solid
용해도	MW: 501.47. Off-white crystalline powder. Solubility in water (mg/mL): 19 (pH 2.0)0.4 (pH 7.2)log Kow (octanol/aqueous phosphate buffer): 1.91 /Adefovir di(pivaloyloxymethyl) ester/0.1M NaOH: ≥5mg/mL
Human Drugs	Breast FeedingLactationAntiviral AgentsReverse Transcriptase Inhibitors
Decomposition	When heated to decomposition it emits toxic fumes of nitrogen oxides and phosphorus oxides.
녹는점	>250 °C>260°C
Dissociation Constants	pKa1 = 2.0pKa2 = 6.8
끓는 점	632.5±65.0 °C(Predicted)
밀도	1.88
저장 조건	-20°C
pKa(산도 계수)	pKa1 2.0, pKa2 6.8(at 25℃)
물리적 상태	가루
색상	흰색에서 베이지색
InChI	InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
InChIKey	SUPKOOSCJHTBAH-UHFFFAOYSA-N
SMILES	P(COCCN1C2C(N=C1)=C(N)N=CN=2)(=O)(O)O

화학적 성질

Pale Brown Solid

안전 및 규제

GHS 분류	DangerH301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
FDA 요건	The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including adefovir dipivoxil, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Adefovir dipivoxil/
Hazard Classes and Categories	Acute Tox. 3 (97.6%)
보관 조건	Store in original container at 25 °C (77 °F), excursions permitted to 15-30 °C (59-86 °F).
처리 방법	SRP: Expired or waste pharmaceuticals shall carefully take into consideration applicable DEA, EPA, and FDA regulations. It is not appropriate to dispose by flushing the pharmaceutical down the toilet or discarding to trash. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator.SRP: At the time of review, regulatory criteria for small quantity disposal are subject to significant revision, however, household quantities of waste pharmaceuticals may be managed as follows: Mix with wet cat litter or coffee grounds, double bag in plastic, discard in trash.
상호 작용	Potential increased risk of nephrotoxicity in patients receiving other nephrotoxic drugs (e.g., aminoglycosides, cyclosporine, tacrolimus, vancomycin, certain nonsteroidal anti-inflammatory agents [NSAIAs])monitor closely.Pharmacokinetic interaction (33% increase in peak plasma concentration and 23% increase in AUC of adefovirdipivoxilno effect on pharmacokinetics of ibuprofen). Clinical importance unknown. May occur because of increased oral bioavailability of adefovir.Tenofovir disoproxil fumarate and adefovir dipivoxil should not be used concomitantly for treatment of chronic HBV infection.... Study GS-02-531 was an open-label, multicentre drug interaction trial to examine potential drug interactions between adefovir and tacrolimus in stable post-transplant recipients. Sixteen non-HBV-infected post-transplant recipients with median age 45.5 years (69% male, 44% Caucasian, 50% Hispanic and 6% Black) and stable hepatic and renal function on a stable daily dose of tacrolimus (2-10 mg total daily dose) were studied before (tacrolimus alone) and after co-administration of adefovir 10 mg daily for 14 days (Days 1-14). Pharmacokinetic (PK) analyses utilized non-compartmental methods. The median elimination half-life of tacrolimus was 14.47 and 12.59 h for Day 0 and Day 14 respectively. The geometric mean ratios for tacrolimus on Day 14 vs Day 0 were 105.2% [90% confidence interval (90% CI): 89.8-123%] for C(max) and 106.4% (90% CI: 92.9-122%) for AUC(tau). Both 90% CIs for the ratios were contained within the predefined lack of interaction bounds of 80 and 125% (i.e. within the bounds for the equivalence assessment), indicating that these PK parameters of tacrolimus are not significantly altered by co-administration of adefovir. Similarly, the observed adefovir PK parameters after 14 days of co-administration with tacrolimus were comparable to historical data in non-transplant patients receiving adefovir alone. Serum creatinine values were stable during the study period. There is no significant PK interaction between tacrolimus and adefovir co-administered to liver transplant recipients for 14 days.

용도

Adefovir has been used to study its anti-retro viral effect on porcine endogenous retrovirus (PERV) activity.