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FKBP12 PROTAC RC32

CAT: 0013-GTR19226871Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226871Size:1 mg
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Description
FKBP12 PROTAC RC32 is a heterobifunctional small molecule that induces targeted degradation of FKBP12. It has demonstrated utility in both cellular and in vivo models, including after intraperitoneal administration, making it a valuable chemical probe for studying FKBP12 biology and PROTAC mechanisms.
CAS Number
2375555-66-9
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
98.57% (May vary between batches)
Smiles
O=C1NC (C (N2C (C (C=CC=C3NCCOCCOCCN4C=C (COCCO[C@H]5CC[C@@H] (C[C@H] ([C@] (OC ([C@@]6 ([H]) N (C (C ([C@]7 (O) O[C@@]8 ([H]) CC[C@H]7C) =O) =O) CCCC6) =O) ([H]) CC ([C@@H] (/C=C (C) \[C@@H] (O) [C@@H] (OC) C ([C@H] (C) C[C@H] (C) /C=C\C=C\C=C (C) /[C@@H] (OC) C8) =O) C) =O) C) C[C@H]5OC) N=N4) =C3C2=O) =O) CC1) =O
Molecular Formula
C75H107N7O20
Molecular Weight
1426.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CAS Number2375555-66-9
PubChem CID156599864
IUPAC Name(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Molecular FormulaC75H107N7O20
Molecular Weight1426.7
XLogP5.8
Topological Polar Surface Area338
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count23
Rotatable Bond Count23
Heavy Atom Count102
Formal Charge0
Complexity2980
SMILES
C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCOCC5=CN(N=N5)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)C)/C)O)OC)C)C)/C)OC
InChI
InChI=1S/C75H107N7O20/c1-45-17-12-11-13-18-46(2)61(94-8)41-54-24-22-51(7)75(93,102-54)69(87)73(91)81-29-15-14-21-58(81)74(92)101-62(42-59(83)47(3)38-50(6)67(86)68(96-10)66(85)49(5)37-45)48(4)39-52-23-26-60(63(40-52)95-9)100-36-35-99-44-53-43-80(79-78-53)30-32-98-34-33-97-31-28-76-56-20-16-19-55-65(56)72(90)82(71(55)89)57-25-27-64(84)77-70(57)88/h11-13,16-20,38,43,45,47-49,51-52,54,57-58,60-63,67-68,76,86,93H,14-15,21-37,39-42,44H2,1-10H3,(H,77,84,88)/b13-11-,17-12-,46-18-,50-38-/t45-,47-,48-,49-,51-,52+,54+,57?,58+,60-,61+,62+,63-,67-,68+,75-/m1/s1
InChIKey
XCSUEITWRRFFMN-LPIXFUNRSA-N
Chemical Structure
2D Structure
2D structure of (1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CAS: 2375555-66-9
CID: 156599864
Formula: C75H107N7O20
MW: 1426.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1426.7
XLogP35.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count23
Rotatable Bond Count23
Exact Mass1425.75708883
Monoisotopic Mass1425.75708883
Topological Polar Surface Area338 Ų
Heavy Atom Count102
Formal Charge0
Complexity2980
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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