| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
In Jurkat, RPMI-8866, and TK-1 cell lines, HCA2969 inhibits human α4β1 integrin (KD=0.32 nM; IC50=5.8 nM), human α4β7 integrin (KD=0.46 nM; IC50=1.4 nM), and mouse α4β7 integrin (KD=0.2 nM; IC50=26 nM).
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| ln Vivo |
In a mouse model, carotegrastmethyl (AJM300; sidewall; 0.03-1%; for 15 days) inhibits humiditis caused by the transfer of CD4+ T cells lacking in IL-10 [1]. In BALB/c mice (8-week-old female mice), carotenegrastmethyl (facial; 0.3, 3, 30, or 30 mg/kg; single sidewall) inhibits phase homing to Peyer's nest and raises peripheral count count[1].
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| Animal Protocol |
Animal/Disease Models: Mouse colitis model induced by adoptive transfer of IL-10-deficient CD4+ T cells [1] 0.03, 0.1, 0.3 or 1% Dosing: for 15 days
Experimental Results: Histological improvement of epithelial cell proliferation, inflammatory cells diminished infiltration and diminished mucus production. Prevents the increase in colon weight in a model of colitis induced by adoptive transfer of CD4+CD45RBhigh T cells. |
| References | |
| Additional Infomation |
Carotegrast methyl is under investigation in clinical trial NCT03531892 (A Study to Evaluate the Safety and Efficacy of AJM300 in Participants With Active Ulcerative Colitis).
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| Molecular Formula |
C28H26CL2N4O5
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|---|---|
| Molecular Weight |
569.435844898224
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| Exact Mass |
568.128
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| Elemental Analysis |
C, 59.06; H, 4.60; Cl, 12.45; N, 9.84; O, 14.05
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| CAS # |
401905-67-7
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| Related CAS # |
Carotegrast;401904-75-4
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| PubChem CID |
9872780
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4.151
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
39
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| Complexity |
918
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| Defined Atom Stereocenter Count |
1
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| SMILES |
ClC1C=CC=C(C=1C(N[C@H](C(=O)OC)CC1C=CC(=CC=1)N1C(N(C)C2C=CC(=CC=2C1=O)N(C)C)=O)=O)Cl
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| InChi Key |
MMHHPKCJJIFLBQ-QFIPXVFZSA-N
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| InChi Code |
InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1
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| Chemical Name |
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate
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| Synonyms |
Carotegrast methyl; AJM300; AJM-300; AJM 300; PTC-100, PTC100; PTG 100;
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| HS Tariff Code |
2934.99.03.00
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| 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)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~175.61 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1.25 mg/mL (2.20 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 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: 1.25 mg/mL (2.20 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7561 mL | 8.7806 mL | 17.5611 mL | |
| 5 mM | 0.3512 mL | 1.7561 mL | 3.5122 mL | |
| 10 mM | 0.1756 mL | 0.8781 mL | 1.7561 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.
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