Dideoxyadenosine

DDA · 2',3'-DIDEOXYADENOSINE · NSC 98700 · 2',3'-ddA · DIDEOXYADENOSINE · Didanosin EP Imp G · DDA, antiviral drug · 2’,3’-dideoxy-adenosin

https://huagongshe.com/ko/chemical/20039

식별자 및 물리적 특성

CAS No.	4097-22-7
분자식	C10H13N5O2
평균 분자량	235.24 g/mol
단동위원소 질량	235.10692467 g/mol
SMILES	Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIKey	WVXRAFOPTSTNLL-NKWVEPMBSA-N
PubChem CID	20039
ChEMBL	CHEMBL14925
ChEBI	CHEBI:91207
EC No.	223-853-2
DTXSID	DTXSID2023771

화학 및 물리적 성질

XLogP	-0.2
극성 표면적	99.1
수소 결합 공여자 수	2
수소 결합 수용자 수	6
회전 가능 결합 수	2
무거운 원자 수	17
형식 전하	0
복잡도	279
용해도	10 to 50 mg/mL at 68 °F (NTP, 1992)H2O 3.4-5.1 (mg/mL)Buffer, pH4 4.8-9.6 (mg/mL)Buffer, pH9 3.2-4.8 (mg/mL)EtOH 1.6-2.0 (mg/mL)DMA 2.6-3.4 (mg/mL)DMF: 1 mg/mLDMSO: 2 mg/mLEthanol: Slightly soluble
녹는점	358 to 363 °F (NTP, 1992)181-184 °C(lit.)
Optical Rotation	(c = 1 , H2O) [a]25 D = -28 ± 2°
Physical Description	2',3'-dideoxyadenosine is an off-white powder. (NTP, 1992)
Stability/Shelf Life	Bulk: 2',3'-Dideoxyadenosine is stable as a bulk chemical for at least 6 weeks at room temperature and 45 °C, under light or dark conditions. Solution: DDA was stable as a 0.1 mg/mL water solution for at least 23 hrs at room temperature.
끓는 점	377.64°C (rough estimate)
밀도	1.2455 (rough estimate)
굴절률	-34 ° (C=1, H2O)
저장 조건	-20°C
pKa(산도 계수)	pKa 3.84(H2O t=25.0±0. I=0.01) (Uncertain)
물리적 상태	가루
색상	흰색에서 황백색까지
용해도	43.2g/L(25℃)
Merck	14,3101
BRN	619924
InChI	1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKey	WVXRAFOPTSTNLL-NKWVEPMBSA-N
SMILES	Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO)O3
EPA	Adenosine, 2',3'-dideoxy- (4097-22-7)

화학적 성질

Beige power

안전 및 규제

GHS 분류	WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
화재 위험	Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to a related compound include cutaneous eruptions, fever, mouth sores, thrombocytopenia, neutropenia, reversible peripheral neuropathy, gastrointestinal distress, headache, nausea and vomiting. (NTP, 1992)
반응성 그룹	Alcohols and PolyolsAmines, Phosphines, and PyridinesEthers
Reactivity Profile	2',3'-DIDEOXYADENOSINE may be sensitive to prolonged exposure to light.
Air and Water Reactions	Water soluble.
Hazard Classes and Categories	Muta. 2 (50%)
소화	Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
응급 처치	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

용도

2′,3′-Dideoxyadenosine (ddA), a specific adenylyl cyclase inhibitor, is useful in biological process and pathway studies involving adenylyl cyclase activity and cAMP pool modulation.

일반 설명

Off-white powder.