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Rimiducid

CAT: 0804-HY-16046-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16046-01Size:2 mg
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Description
Rimiducid (AP1903) is a dimerizer agent that acts by cross-linking the FKBP domains. Rimiducid (AP1903) dimerizes the Caspase 9 suicide switch and rapidly induces apoptosis.
CAS Number
195514-63-7
Product Name Alternative
AP1903
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; FKBP
Type
Reference compound
Related Pathways
Apoptosis; Autophagy; Cell Cycle/DNA Damage; Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/AP1903.html
Purity
99.81
Solubility
DMSO : ≥ 100 mg/mL
Smiles
COC1=CC=C(CC[C@@H](OC([C@@H]2CCCCN2C([C@@H](CC)C3=CC(OC)=C(OC)C(OC)=C3)=O)=O)C4=CC=CC(OCC(NCCNC(COC5=CC([C@@H](CCC6=CC=C(OC)C(OC)=C6)OC([C@@H]7CCCCN7C([C@H](C8=CC(OC)=C(OC)C(OC)=C8)CC)=O)=O)=CC=C5)=O)=O)=C4)C=C1OC
Molecular Formula
C78H98N4O20
Molecular Weight
1411.63
Precautions
H302, H315, H319, H335
References & Citations
[1]Clackson T, et al. Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity. Proc Natl Acad Sci U S A. 1998 Sep 1;95 (18) :10437-42.|[2]Thomis DC, et al. A Fas-based suicide switch in human T cells for the treatment of graft-versus-host disease. Blood. 2001 Mar 1;97 (5) :1249-57.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Rimiducid

Rimiducid is a lipid-permeable tacrolimus analogue and a protein dimerizer. It was designed to overcome limitations of current cellular immunotherapies used for cancer and other blood disorders by enhancing the control of the immune cell activity and function. When administered via chemically-inducible dimerization (CID) technologies, rimiducid binds to switch proteins and dimerizes them, triggering downstream signaling cascade. The combination use of rimiducid with immunotherapies for enhanced therapeutic effectiveness is currently under investigation.

CAS Number195514-63-7
PubChem CID16135625
IUPAC Name[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[2-[[2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
Molecular FormulaC78H98N4O20
Molecular Weight1411.6
XLogP11.9
Topological Polar Surface Area262
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count20
Rotatable Bond Count39
Heavy Atom Count102
Formal Charge0
Complexity2330
SMILES
CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCNC(=O)COC5=CC=CC(=C5)[C@@H](CCC6=CC(=C(C=C6)OC)OC)OC(=O)[C@@H]7CCCCN7C(=O)[C@@H](CC)C8=CC(=C(C(=C8)OC)OC)OC
InChI
InChI=1S/C78H98N4O20/c1-13-57(53-43-67(93-7)73(97-11)68(44-53)94-8)75(85)81-37-17-15-25-59(81)77(87)101-61(31-27-49-29-33-63(89-3)65(39-49)91-5)51-21-19-23-55(41-51)99-47-71(83)79-35-36-80-72(84)48-100-56-24-20-22-52(42-56)62(32-28-50-30-34-64(90-4)66(40-50)92-6)102-78(88)60-26-16-18-38-82(60)76(86)58(14-2)54-45-69(95-9)74(98-12)70(46-54)96-10/h19-24,29-30,33-34,39-46,57-62H,13-18,25-28,31-32,35-38,47-48H2,1-12H3,(H,79,83)(H,80,84)/t57-,58-,59-,60-,61+,62+/m0/s1
InChIKey
GQLCLPLEEOUJQC-ZTQDTCGGSA-N
Chemical Structure
2D Structure
2D structure of Rimiducid
CAS: 195514-63-7
CID: 16135625
Formula: C78H98N4O20
MW: 1411.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1411.6
XLogP311.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count20
Rotatable Bond Count39
Exact Mass1410.67744153
Monoisotopic Mass1410.67744153
Topological Polar Surface Area262 Ų
Heavy Atom Count102
Formal Charge0
Complexity2330
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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