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Ap1903

CAS No.:
195514-63-7
Catalog Number:
AG00ABIL
Molecular Formula:
C78H98N4O20
Molecular Weight:
1411.6275
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$407
- +
5mg
99%
1 week
United States
$590
- +
10mg
99%
1 week
United States
$840
- +
50mg
99%
1 week
United States
$2390
- +
100mg
99%
1 week
United States
$3223
- +
Product Description
Catalog Number:
AG00ABIL
Chemical Name:
Ap1903
CAS Number:
195514-63-7
Molecular Formula:
C78H98N4O20
Molecular Weight:
1411.6275
MDL Number:
MFCD25976784
IUPAC Name:
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[2-[[2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
InChI:
InChI=1S/C78H98N4O20/c1-13-57(53-43-67(93-7)73(97-11)68(44-53)94-8)75(85)81-37-17-15-25-59(81)77(87)101-61(31-27-49-29-33-63(89-3)65(39-49)91-5)51-21-19-23-55(41-51)99-47-71(83)79-35-36-80-72(84)48-100-56-24-20-22-52(42-56)62(32-28-50-30-34-64(90-4)66(40-50)92-6)102-78(88)60-26-16-18-38-82(60)76(86)58(14-2)54-45-69(95-9)74(98-12)70(46-54)96-10/h19-24,29-30,33-34,39-46,57-62H,13-18,25-28,31-32,35-38,47-48H2,1-12H3,(H,79,83)(H,80,84)/t57-,58-,59-,60-,61+,62+/m0/s1
InChI Key:
GQLCLPLEEOUJQC-ZTQDTCGGSA-N
SMILES:
CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1cccc(c1)OCC(=O)NCCNC(=O)COc1cccc(c1)[C@H](OC(=O)[C@@H]1CCCCN1C(=O)[C@H](c1cc(OC)c(c(c1)OC)OC)CC)CCc1ccc(c(c1)OC)OC)CCc1ccc(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC
UNII:
H564L1W5J2
Properties
Complexity:
2330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
1410.677g/mol
Formal Charge:
0
Heavy Atom Count:
102  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
1411.65g/mol
Monoisotopic Mass:
1410.677g/mol
Rotatable Bond Count:
39  
Topological Polar Surface Area:
262A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.9  
Literature
Title Journal
Inducible apoptosis as a safety switch for adoptive cell therapy. The New England journal of medicine 20111103
Eliminating cells gone astray. The New England journal of medicine 20111103
Long-term regulation of genetically modified primary hematopoietic cells in dogs. Molecular therapy : the journal of the American Society of Gene Therapy 20110701
A composite MyD88/CD40 switch synergistically activates mouse and human dendritic cells for enhanced antitumor efficacy. The Journal of clinical investigation 20110401
Using gene transfer to circumvent off-target effects. Gene therapy 20080501
Regulation of gene expression by synthetic dimerizers with novel specificity. Bioorganic & medicinal chemistry letters 20031006
A Fas-based suicide switch in human T cells for the treatment of graft-versus-host disease. Blood 20010301
Properties