| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
Purity: ≥98%
(±)-BI-D is a novel and potent allosteric/noncatalytic site integrase inhibitor that binds integrase at the LEDGF/p75 binding site. It binds with higher affinity to a tetrameric form compared to a dimeric form of integrase. The binding of integrase (IN) to lens epithelium-derived growth factor (LEDGF)/p75 in large part determines the efficiency and specificity of HIV-1 integration. However, a significant residual preference for integration into active genes persists in Psip1 (the gene that encodes for LEDGF/p75) knockout (KO) cells.
| ln Vitro |
BI-D, a potent ALLINI that binds IN at the LEDGF/p75 binding site (28), was synthesized as described in Supplementary Methods. E9 MEF cells (5 x 103) seeded in wells of a 96-well plate were infected in quadruplicate with HIV-Luc (5 x 105 RT-cpm) in the presence of serial dilutions of BI-D or dimethyl sulfoxide solvent control to determine half-maximal inhibitory concentration (IC50) values of the drug. [1]
The IC50 of the BI-D inhibitor was determined during the acute phase of HIV-1 infection, at the time LEDGF/p75 and HRP2 are known to function. Approximately 2.4–2.9 µM of BI-D was required to inhibit 50% of HIV-Luc infection of WT and Hdgfrp2 KO cells, while the IC50 decreased dramatically, to 160–200 nM, in Psip1 and double-KO cells. In contrast, the IC50 value for the IN active site inhibitor raltegravir was similar in each cell type.[1] |
|---|---|
| References |
|
| Molecular Formula |
C25H27NO4
|
|---|---|
| Molecular Weight |
405.4862
|
| Exact Mass |
405.194
|
| CAS # |
1416258-16-6
|
| PubChem CID |
71592850
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
587.3±50.0 °C at 760 mmHg
|
| Flash Point |
309.0±30.1 °C
|
| Vapour Pressure |
0.0±1.7 mmHg at 25°C
|
| Index of Refraction |
1.610
|
| LogP |
5.28
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
30
|
| Complexity |
602
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1=NC2=CC=CC=C2C(=C1C(C(=O)O)OC(C)(C)C)C3=CC4=C(C=C3)OCCC4
|
| InChi Key |
ZFERZAMPQIXCPM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C25H27NO4/c1-15-21(23(24(27)28)30-25(2,3)4)22(18-9-5-6-10-19(18)26-15)17-11-12-20-16(14-17)8-7-13-29-20/h5-6,9-12,14,23H,7-8,13H2,1-4H3,(H,27,28)
|
| Chemical Name |
2-[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
|
| Synonyms |
(±)-BI-D; (±)-BI D
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~246.62 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.17 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.17 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.17 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4662 mL | 12.3308 mL | 24.6615 mL | |
| 5 mM | 0.4932 mL | 2.4662 mL | 4.9323 mL | |
| 10 mM | 0.2466 mL | 1.2331 mL | 2.4662 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Link: https://clinicaltrials.gov/ct2/show/NCT07400965
Conditions:Demodex BlepharitisLink: https://clinicaltrials.gov/ct2/show/NCT05432466
Conditions:Vascular Ehlers-Danlos SyndromeLink: https://clinicaltrials.gov/ct2/show/NCT02143648
Conditions:Uremic Pruritus|Pruritus
Title:Study of Nalbuphine HCl ER Tablets in Patients With Prurigo Nodularis
Status:Completed
updateDate:2025-05-21
Ctid:NCT02174419
Link: https://clinicaltrials.gov/ct2/show/NCT02174419
Conditions:Prurigo Nodularis|Nodularis Prurigo|Prurigo|PruritusLink: https://clinicaltrials.gov/ct2/show/NCT04817670
Conditions:Sickle Cell DiseaseLink: https://clinicaltrials.gov/ct2/show/NCT06553287
Conditions:Atopic DermatitisLink: https://clinicaltrials.gov/ct2/show/NCT05140863
Conditions:Postherpetic NeuralgiaLink: https://clinicaltrials.gov/ct2/show/NCT04748705
Conditions:FibromyalgiaLink: https://clinicaltrials.gov/ct2/show/NCT03720574
Conditions:ObesityLink: https://clinicaltrials.gov/ct2/show/NCT01794923
Conditions:PainLink: https://clinicaltrials.gov/ct2/show/NCT03011892
Conditions:Atopic DermatitisLink: https://clinicaltrials.gov/ct2/show/NCT00983060
Conditions:Chronic Hepatitis C Genotype-1 RelapseLink: https://clinicaltrials.gov/ct2/show/NCT04647773
Conditions:Diabetic Peripheral Neuropathic PainLink: https://clinicaltrials.gov/ct2/show/NCT00395135
Conditions:ObesityLink: https://clinicaltrials.gov/ct2/show/NCT03575676
Conditions:Huntington's ChoreaLink: https://clinicaltrials.gov/ct2/show/NCT01096160
Conditions:HypertensionLink: https://clinicaltrials.gov/ct2/show/NCT02795832
Conditions:Atopic DermatitisLink: https://clinicaltrials.gov/ct2/show/NCT02327754
Conditions:Diabetic NephropathyLink: https://clinicaltrials.gov/ct2/show/NCT02565173
Conditions:Primary Open-Angle Glaucoma (POAG)|Ocular Hypertension (OHT)Link: https://clinicaltrials.gov/ct2/show/NCT01069965
Conditions:Diabetes MellitusLink: https://clinicaltrials.gov/ct2/show/NCT01115959
Conditions:Post Cerebral HemorrhageProducts are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
COA