Tìm theo
TTNPB
Các tên gọi khác (5 ) :
  • (E)-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylenyl)-1 -propenyl] benzoic acid
  • Arotinoic acid
  • Arotinoid acid
  • CCRIS 3297
  • Tocris-0761
Thuốc điều trị ung thư
Thuốc Gốc
Small Molecule
CAS: 71441-28-6
CTHH: C24H28O2
PTK: 348.4779
TTNPB is a retinoic acid analog which acts as a selective RAR agonist.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H28O2
Phân tử khối
348.4779
Monoisotopic mass
348.20893014
InChI
InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
InChI Key
InChIKey=FOIVPCKZDPCJJY-JQIJEIRASA-N
IUPAC Name
4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
Traditional IUPAC Name
ttnpb
SMILES
C\C(=C/C1=CC=C(C=C1)C(O)=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C
Độ tan chảy
240-241 °C
Độ hòa tan
1.44e-04 g/l
logP
6.9
logS
-6.4
pKa (strongest acidic)
4.12
PSA
37.3 Å2
Refractivity
108.58 m3·mol-1
Polarizability
41.77 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02877
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5289501
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507753
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C15634
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