| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C115H145ClN18O31S2Zn2 |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Zn-DPA-maytansinoid conjugate 1 is a small-molecule maytansinoid conjugate that targets an immune checkpoint. It induces lasting regression of tumor growth and rejuvenates the tumor microenvironment (TME) into an "inflamed hot tumor" state[1]. Its molecular formula is C115H145ClN18O31S2Zn2, with a molecular weight of 2505.83 g/mol.
Physical & Chemical Properties
| CAS Number | 3034629-04-1 |
|---|---|
| Molecular Formula | C115H145ClN18O31S2Zn2 |
| Molecular Weight | 2505.83 g/mol |
| SMILES | [O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.C[C@H](C(O[C@@H](CC(N1C)=O)[C@](O2)(C)C2[C@@H](C)[C@@H]3OC(N[C@](O)([C@H](/C=C\C=C(CC4=CC(OC)=C(C1=C4)Cl)/C)OC)C3)=O)=O)N(C(CCSSCCC(NCC5=CC=C(CNC(COCCOCCOCC(N(CCCCOC6=CC(C[N]78CC9=CC=CC=[N]9[Zn+2]7[N](C(NC(CCCCC)=O)=CC=C%10)=C%10C8)=CC(C[N]%11%12CC%13=CC=CC=[N]%13[Zn+2]%11[N](C(NC(CCCCC)=O)=CC=C%14)=C%14C%12)=C6)CC%15=CC=C(C=C%15)C%16=CC=CC=C%16)=O)=O)C=C5)=O)=O)C |
| Signaling Pathway | Cell Cycle/DNA Damage; JAK/STAT Signaling; Stem Cell/Wnt; Immunology/Inflammation; GPCR/G Protein |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
In Vitro
Zn-DPA-maytansinoid conjugate 1 at 0-20 mM for 72 h inhibits growth of MIA PaCa2 human pancreatic cancer cells and HCC1806 triple-negative breast cancer cells, with no effect on normal fibroblasts (Detroit 551)[1]. Zn-DPA-maytansinoid conjugate 1 significantly increases CD8+ T cell infiltration in the tumor mass, sensitizing tumors from the intrinsic immune-suppressive TME[1]. Zn-DPA-maytansinoid conjugate 1 induces expression of tumor inflammation-related mRNAs such as STAT1, CXCL10, CCL5, and CCL2[1]. Zn-DPA-maytansinoid conjugate 1 rejuvenates the TME, enhancing T cell, macrophage, NK cell, chemokine, and cytokine functions[1].
Cell Viability Assay[1]
| Cell Line | Detroit 551, human pancreatic cancer MIA PaCa2 cells and triple-negative breast cancer HCC1806 cells |
|---|---|
| Concentration | 0-20 mM |
| Incubation Time | 72 hours |
| Result | Inhibited cancer cells with IC50s of 676 nM (MIA PaCa2) and 39 nM (HCC1806), respectively. Showed low cytotoxicity against Detroit 551 cells (IC50>20 mM). |
In Vivo
Growth of many solid tumors is effectively curbed by Zn-DPA-maytansinoid conjugate 1 (1-2.5 mg/kg; i.v.; twice a week for 2 weeks), which also exerts antipancreatic cancer activity, anti-triple-negative breast cancer activity, and anti-sorafenib-resistant HCC tumor activity[1].
| Animal Model | Nude mice bearing MIA PaCa-2, HCC1806 or sorafenib-resistant HCC xenograft tumors, respectively[1] |
|---|---|
| Dosage | 1 mg/kg, 2 mg/kg, 2.5 mg/kg |
| Administration | Intravenous injection; twice (day 1 and day 4) a week for 2 weeks; measured tumor twice weekly |
| Result | Resulted a lasting regression of tumor growth. |
| Animal Model | Male SD rats (8-week-old)[1] |
|---|---|
| Dosage | 1 mg/kg |
| Administration | Intravenous injection; once a week for 4 weeks (days 1, 8, 15, and 22); measured body weights daily |
| Result | Showed no effect on rats body weight. |
| Animal Model | Pharmacokinetic study in ICR mice (6-week-old) bearing HCC1806 tumors[1] |
|---|---|
| Dosage | 5 mg/kg (in 10% DMA/20% Cremophor EL/70% (5% dextrose)) |
| Administration | Intravenous injection; single dose; collected blood samples at 0.003, 0.083, 0.25, 0.5, 1, 2, 4, 6, 8, and 24 h and collected tumor samples at 0.5, 2, 6, 24, 72, and 168 h |
| Result | CL (mL/min/kg)=0.9; Vss (L/kg)=0.12; AUC (0-24 h) (ng/mL·h)=105599. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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