For research use only. Not for therapeutic Use.
PEN-221 is discontinued for commercial reason.
| Catalog Number | I034376 |
| CAS Number | 1853254-97-3 |
| Synonyms | PEN-221; PEN 221; PEN221; DM1-conjugate, DM1-Tyr3-octreotate; SSTR2-targeting protein/DM1 conjugate; maytansinoid conjugate; |
| Molecular Formula | C83H109ClN14O20S4 |
| Purity | 98% |
| Solubility | Soluble in DMSO |
| Appearance | Solid powder |
| Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
| IUPAC Name | DPhe-cyclo[Cys-Tyr-DTrp-Lys-Thr-Cys]-Cys(DM1)-NH2 |
| InChI | InChI=1S/C83H109ClN14O20S4/c1-44-18-17-24-65(115-9)83(113)39-64(116-81(112)96-83)45(2)71-82(5,118-71)66(38-68(102)98(7)62-35-50(32-44)36-63(114-8)69(62)84)117-80(111)46(3)97(6)67(101)29-31-119-120-41-59(72(87)103)92-78(109)61-43-122-121-42-60(93-73(104)54(86)33-48-19-11-10-12-20-48)77(108)90-57(34-49-25-27-52(100)28-26-49)75(106)91-58(37-51-40-88-55-22-14-13-21-53(51)55)76(107)89-56(23-15-16-30-85)74(105)95-70(47(4)99)79(110)94-61/h10-14,17-22,24-28,35-36,40,45-47,54,56-61,64-66,70-71,88,99-100,113H,15-16,23,29-34,37-39,41-43,85-86H2,1-9H3,(H2,87,103)(H,89,107)(H,90,108)(H,91,106)(H,92,109)(H,93,104)(H,94,110)(H,95,105)(H,96,112)/b24-17+,44-18+/t45-,46+,47-,54-,56+,57+,58-,59+,60+,61+,64+,65-,66+,70+,71+,82+,83+/m1/s1 |
| InChIKey | JVPMJFUBODFGNB-UFDFPQQFSA-N |
| SMILES | O=C([C@H](CSSC[C@@H](C1=O)NC([C@H](N)CC2=CC=CC=C2)=O)NC([C@@]([H])(NC([C@@H](NC([C@@H](CC3=CNC4=C3C=CC=C4)NC([C@H](CC5=CC=C(O)C=C5)N1)=O)=O)CCCCN)=O)[C@H](O)C)=O)N[C@H](C(N)=O)CSSCCC(N(C)[C@@H](C)C(O[C@@H]6[C@](C)(O7)[C@@H]7[C@H](C)[C@](OC(N8)=O)([H])C[C@]8(O)[C@H](OC)/C=C/C=C(C)/CC9=CC(OC)=C(Cl)C(N(C)C(C6)=O)=C9)=O)=O |
| Reference | 1: White BH, Whalen K, Kriksciukaite K, Alargova RG, Au Yeung T, Bazinet P, |
