| Size | Price | Stock | Qty |
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| 500 μg |
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| 1mg |
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| 2mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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Purity: ≥98%
Pentixafor is a ligand/intermediate used for the preparation of gallium Ga 68-pentixafor, which is a ligand for chemokine receptor C-X-C chemokine receptor type 4 (CXCR4), and a radioconjugate consisting a cyclic pentapeptide analog of stromal-cell derived factor-1 (SDF-1 or CXCL12).
| Targets |
CXCR4
|
|---|---|
| ln Vitro |
A growing body of literature reports on the upregulation of C-X-C motif chemokine receptor 4 (CXCR4) in a variety of cancer entities, rendering this receptor as suitable target for molecular imaging and endoradiotherapy in a theranostic setting. For instance, the CXCR4-targeting positron emission tomography (PET) agent [68 Ga]PentixaFor has been proven useful for a comprehensive assessment of the current status quo of solid tumors, including adrenocortical carcinoma or small-cell lung cancer. In addition, [68 Ga]PentixaFor has also provided an excellent readout for hematological malignancies, such as multiple myeloma, marginal zone lymphoma, or mantle cell lymphoma. PET-based quantification of the CXCR4 capacities in vivo allows for selecting candidates that would be suitable for treatment using the theranostic equivalent [177Lu]/[90Y]PentixaTher. This CXCR4-directed theranostic concept has been used as a conditioning regimen prior to hematopoietic stem cell transplantation and to achieve sufficient anti-lymphoma/-tumor activity in particular for malignant tissues that are highly sensitive to radiation, such as the hematological system. Increasing the safety margin, pretherapeutic dosimetry is routinely performed to determine the optimal activity to enhance therapeutic efficacy and to reduce off-target adverse events[1].
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| ln Vivo |
In mice affected with either CXCR4( −) or CXCR4( +) leukemia xenografts, an increased [68Ga]PentixaFor signal was observed in the latter animals [1].
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| References |
| Molecular Formula |
C60H80N14O14
|
|---|---|
| Molecular Weight |
1221.384
|
| Exact Mass |
1220.5978
|
| Elemental Analysis |
C, 59.00; H, 6.60; N, 16.06; O, 18.34
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| CAS # |
1341207-62-2
|
| Related CAS # |
1341207-62-2;1342253-77-3 (Gallium);1345698-96-5 (Ga-68);
|
| Appearance |
White to off-white solid powder
|
| LogP |
-6.3
|
| tPSA |
404Ų
|
| SMILES |
O=C1[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])N([H])C(C2C([H])=C([H])C(=C([H])C=2[H])C([H])([H])N([H])C(C([H])([H])N2C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C2([H])[H])=O)=O)N(C([H])([H])[H])C([C@@]([H])(C([H])([H])C2C([H])=C([H])C(=C([H])C=2[H])O[H])N([H])C(C([H])([H])N([H])C([C@]([H])(C([H])([H])C2C([H])=C([H])C3=C([H])C([H])=C([H])C([H])=C3C=2[H])N([H])C([C@]([H])(C([H])([H])C([H])([H])C([H])([H])/N=C(\N([H])[H])/N([H])[H])N1[H])=O)=O)=O)=O
|
| InChi Key |
OSUJVKAXNLHVRB-HUMWUIFSSA-N
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| InChi Code |
nChI=1S/C60H80N14O14/c1-70-49(9-5-20-63-55(84)43-16-10-40(11-17-43)33-65-51(77)35-71-22-24-72(36-52(78)79)26-28-74(38-54(82)83)29-27-73(25-23-71)37-53(80)81)58(87)68-46(8-4-21-64-60(61)62)57(86)69-47(32-41-12-15-42-6-2-3-7-44(42)30-41)56(85)66-34-50(76)67-48(59(70)88)31-39-13-18-45(75)19-14-39/h2-3,6-7,10-19,30,46-49,75H,4-5,8-9,20-29,31-38H2,1H3,(H,63,84)(H,65,77)(H,66,85)(H,67,76)(H,68,87)(H,69,86)(H,78,79)(H,80,81)(H,82,83)(H4,61,62,64)/t46-,47-,48+,49+/m0/s1
SMILES Code: OC1=CC=C(C[C@@H](NC(CNC([C@H](CC2=CC3=C(C=CC=C3)C=C2)NC4=O)=O)=O)C(N(C)[C@H](CCCNC(C5=CC=C(CNC(CN6CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC6)=O)C=C5)=O)C(N[C@H]4CCCNC(N)=N)=O)=O)C=C1
|
| Chemical Name |
2,2',2''-(10-(2-((4-((3-((2R,5S,8S,14R)-5-(3-guanidinopropyl)-14-(4-hydroxybenzyl)-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)propyl)carbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
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| Synonyms |
CPCR 4-2; CPCR4-2; CPCR-4-2; CPCR42; Ligand of gallium Ga 68-pentixafor; CPCR-42; CPCR 42; Pentixafor
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, away from moisture and light. |
| 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 (81.9 mM)
Methanol: ≥ 125 mg/mL (102.3 mM) |
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.8187 mL | 4.0937 mL | 8.1875 mL | |
| 5 mM | 0.1637 mL | 0.8187 mL | 1.6375 mL | |
| 10 mM | 0.0819 mL | 0.4094 mL | 0.8187 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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