Tìm theo
HE2000
Thuốc Gốc
Small Molecule
CAS: 28507-02-0
CTHH: C19H29BrO2
PTK: 369.336
HE2000 is an injectable formulation of a compound called alpha-epi-bromide. It is a chemical relative of DHEA which was selected for development after it showed antiretroviral activity in laboratory tests.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H29BrO2
Phân tử khối
369.336
Monoisotopic mass
368.135092819
InChI
InChI=1S/C19H29BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1
InChI Key
InChIKey=CWVMWSZEMZOUPC-JUAXIXHSSA-N
IUPAC Name
(1S,2S,5S,7S,10R,11S,13R,15S)-13-bromo-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one
Traditional IUPAC Name
(1S,2S,5S,7S,10R,11S,13R,15S)-13-bromo-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one
SMILES
[H][C@@]12C[C@@H](Br)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C
Độ hòa tan
2.09e-03 g/l
logP
4.44
logS
-5.2
pKa (strongest acidic)
17.86
pKa (Strongest Basic)
-1.4
PSA
37.3 Å2
Refractivity
91.34 m3·mol-1
Polarizability
37.98 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : HE2000 is an injectable formulation of a compound called alpha-epi-bromide. It is a chemical relative of DHEA which was selected for development after it showed antiretroviral activity in laboratory tests. HE2000 interacts with certain enzymes, including G6PDH (glucose 6 phosphate dehydrogenase); these enzymes could be involved in the mechanism. Also, the compound is in the steroid hormone series, and involved in control mechanisms in our cells that are much more complex, interacting with receptors and therefore changing the biochemistry of cells. This compound may have many modes of action; we are trying to understand what they may be.
Chỉ Định : Investigated for use/treatment in cystic fibrosis, HIV infection, hepatitis (viral, B), and malaria.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Immunitin
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05107
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=71613
ChemSpider
http://www.chemspider.com/Chemical-Structure.64682.html
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