Basic information
- CAS
51549-39-4- Standard SMILES
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O- InChIKey
BJZZQJFYKQPUGO-RCCFBDPRSA-N- Molecular formula
- C23H31N5O4Si
- Average molar mass
- 469.6 g/mol
Names & identifiers
- Preferred name
- N-(9-((2R,4S,5R)-5-((Tert-butyldimethylsilyloxy)methyl)-4-hydroxytetrahydrofuran-2-YL)-9H-purin-6-YL)benzamide
- IUPAC
- N-[9-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
- English name
- N6-Benzoyl-5'-O-tert-butyldimethylsilyl-2'-deoxyadenosine
- Molecular formula
- C23H31N5O4Si
- Molecular weight
- 469.61
Names & synonyms
N-(9-((2R,4S,5R)-5-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-2-YL)-9H-PURIN-6-YL)BENZAMIDERefChem:828268684-336-951549-39-45'-O-TBDMS-Bz-dAN6-Benzoyl-5'-O-tert-butyldimethylsilyl-2'-deoxyadenosineN-(9-((2R,4S,5R)-5-(((tert-Butyldimethylsilyl)oxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamideN-[9-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamideAdenosine, N-benzoyl-2'-deoxy-5'-O-[(1,1-dimethylethyl)dimethylsilyl]-N6-benzoyl-5'-O-(tert-butyldimethylsilyl)-2'-deoxyadenosineMFCD04972281orb1693124
Show more names
N6-Bz-5′-O-TBS dAN6-Benzoyl-5’-O-TBDMS-2’-deoxyadenosineN6-benzoyl-5'-O-(TBDMS)-2'-deoxyadenosineN-Benzoyl-5'-O-tert-butyldiMethylsilyl-2'-deoxyadenosine, 98+%N-?benzoyl-?2'-?deoxy-?5'-?O-?[(1,?1-?dimethylethyl)?dimethylsilyl]?-Adenosine
SCHEMBL3822219SCHEMBL29461518DTXSID10722140N-Benzoyl-5'-O-Tert-Butyldimethylsilyl-2'-DeoxyadenosineBJZZQJFYKQPUGO-RCCFBDPRSA-NAKOS024424134NB63417AC-32244
Database identifiers
- CAS
51549-39-4- PubChem CID
- 13833804
- EC Number
- 684-336-9
- Nikkaji
- J2.679.027A
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 684
Physicochemical properties
- Density
- 1.284 · 1.284±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (212.94 mM; Need ultrasonic)
- form
- Solid
- pka
- 7.871 · 7.871±0.43(predicted)
- color
- White to off-white
- CAS DataBase Reference
- 51549 · 51549-39-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.
Warning
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
DescriptionN-Benzoyl-5'-O-tert-butyldimethylsilyl-2'-deoxyadenosine is an anti-cancer drug that is used to inhibit the growth of cancer cells in vitro. It has been shown to induce apoptosis in human leukemia cells and may be a novel anticancer agent. This compound has also been shown to have antiviral activity against HIV, herpes simplex virus type 2, hepatitis B virus, and influenza A virus.
UsesN-Benzoyl-5'-O-tert-butyldimethylsilyl-2'-deoxyadenosine is used as pharmaceutical intermediate.
Suppliers30 total
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
安徽仕通生物科技有限公司15555170917
上海沛诺生物技术有限公司021-58648778 18217200601;15861463695 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
上海烁点生物科技有限公司18221553137
上海源叶生物科技有限公司13636370518 · [email protected]
陕西萃程生物医药科技有限公司13186333400 · [email protected]
芜湖华仁科技有限公司5842013 18155347026
上海天时化工有限公司021-57951555 · [email protected]
上海天时化工有限公司+86-021-57951555 +8618017249410 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
西安科展生物科技有限公司18729005399 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Chemtour Biotech Co., Ltd[email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-55159968 18137130222 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-19891622721 · [email protected]
Related reactions
23 records
Compound notes
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