SD-436

 CAS No.: 2497585-50-7  Cat No.: BP-400197 4.5  

SD-436 is a potent and selective PROTAC STAT3 degrader. It has the potential for advanced preclinical development as a new therapy for the treatment of human cancers.

SD-436

Structure of 2497585-50-7

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PROTAC
Molecular Formula
C58H62F4N9O14PS
Molecular Weight
1248.20
Appearance
White to off-white solid

* For research and manufacturing use only. Not for human or clinical use.

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Appearance
White to off-white solid
Storage
Store at -20 °C
IUPACName
[[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-[[(2S)-3-(3,4-difluorophenyl)-1-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-3-methoxycarbonyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid
Synonyms
SD 436; SD436
InChI Key
FLMMCKAIYLDKIN-PBKIRHPCSA-N
InChI
InChI=1S/C58H62F4N9O14PS/c1-85-57(81)69-24-21-36-11-14-45(71(36)56(80)43(30-69)66-53(77)47-28-34-27-35(10-16-46(34)87-47)58(61,62)86(82,83)84)52(76)64-41(13-17-48(63)72)50(74)65-42(26-32-9-12-39(59)40(60)25-32)55(79)68-22-19-31(20-23-68)5-2-3-6-33-7-4-8-37-38(33)29-70(54(37)78)44-15-18-49(73)67-51(44)75/h4,7-10,12,16,25,27-28,31,36,41-45H,2,5,11,13-15,17-24,26,29-30H2,1H3,(H2,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,73,75)(H2,82,83,84)/t36-,41+,42+,43+,44?,45+/m1/s1
Canonical SMILES
COC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CC(=C(C=C5)F)F)C(=O)N6CCC(CC6)CCC#CC7=C8CN(C(=O)C8=CC=C7)C9CCC(=O)NC9=O

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It is commonly abbreviated as: C1V1 = C2V2

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Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
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