Physicochemical Properties
| Molecular Formula | C14H13CLN4 |
| Molecular Weight | 272.74 |
| Exact Mass | 272.083 |
| Elemental Analysis | C, 61.65; H, 4.80; Cl, 13.00; N, 20.54 |
| CAS # | 139339-45-0 |
| Related CAS # | 139339-45-0; 2328140-37-8; 30195-30-3; |
| PubChem CID | 135422895 |
| Appearance | White to yellow solid powder |
| Density | 1.36g/cm3 |
| Boiling Point | 514.6°C(760mmHg),计算值 |
| Flash Point | 265°C |
| LogP | 2.03 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 19 |
| Complexity | 393 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CNC1CN=C(C2=CC=CN2)C2C=C(C=CC=2N=1)Cl |
| InChi Key | LEAKQIXYSHIHCW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H13ClN4/c1-16-13-8-18-14(12-3-2-6-17-12)10-7-9(15)4-5-11(10)19-13/h2-7,17H,8H2,1H3,(H,16,19) |
| Chemical Name | 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-(1H-pyrrol-2-yl)- |
| Synonyms | Ro247429; Ro247429; Ro-247429; Ro 247429;Ro 24-7429; Ro-24-7429; |
| 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) |
Biological Activity
| Targets | HIV-1 |
| ln Vitro |
Cultured PBMCs are susceptible to dose-dependent apoptosis when exposed to Ro 24-7429 (0.1–5 μM) for three days.
Moreover, Ro 24-7429 (1–25 μM) suppresses antigen-induced lymphocyte proliferation and causes apoptosis[1]. In a dose-dependent manner, Ro24-7429 (50-200 μM; 24-72 hours) strongly inhibits the proliferation of A549 and HLF cells. TNF-α-induced up-regulation of RUNX1 mRNA is significantly reduced by 50% after 48 hours with Ro24-7429 treatment at 75 μM[2]. |
| ln Vivo | In the Bleomycin-induced pulmonary fibrosis (PF) mouse model, treatment with Ro24-7429 (17.5-70 mg/kg; i.p.; daily; for 14 or 21 days) significantly reduces lung inflammation and fibrosis. In injured mouse lungs, Ro24-7429 reduces the expression of fibrosis markers[2]. |
| Animal Protocol |
Animal Model: Bleomycin-induced male and female C57BL/6J mice (aged 6–8 weeks)[2] Dosage: 17.5 mg/kg, 35 mg/kg, and 70 mg/kg Administration: i.p.; daily; for 14 or 21 days Result: reduced inflammation and lung fibrosis in the PF mouse model induced by bleomycin. |
| References |
[1]. HIV-1 Tat protein and its inhibitor Ro 24-7429 inhibit lymphocyte proliferation and induce apoptosis in peripheral blood mononuclear cells from healthy donors. Cell Immunol. 1996 Apr 10;169(1):40-6. [2]. Targeting Runt-Related Transcription Factor 1 Prevents Pulmonary Fibrosis and Reduces Expression of Severe Acute Respiratory Syndrome Coronavirus 2 Host Mediators. Am J Pathol. 2021 Jul;191(7):1193-1208. |
| Additional Infomation |
7-chloro-N-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine is a benzodiazepine. Ro 24-7429 is under investigation in clinical trial NCT00002314 (A Study of Ro 24-7429 in Patients With Hiv-related Kaposi's Sarcoma). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~62.5 mg/mL (~229.16 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.63 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 20.8 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: ≥ 2.08 mg/mL (7.63 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 20.8 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (7.63 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saliney: ≥ 2.08 mg/mL (7.63 mM) (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6665 mL | 18.3325 mL | 36.6650 mL | |
| 5 mM | 0.7333 mL | 3.6665 mL | 7.3330 mL | |
| 10 mM | 0.3666 mL | 1.8332 mL | 3.6665 mL |