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STAD 2

CAT: 0931-T34711Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T34711Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1542100-77-5
Target
PKA
Related Pathways
Tyrosine Kinase/Adaptors
Bioactivity
STAD-2 is a cell permeable akap disruptor, selectively binding to pka-rii and blocking the interaction of pka-ri with akap
Smiles
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCCN)C(N)=O |w:18.17,@@:108|
Molecular Formula
C102H182N24O22
Molecular Weight
2096.724
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S,5S,8S,11S,15E,20S)-20-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-8-(4-aminobutyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2,11,20-trimethyl-5-(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetrazacyclohenicos-15-ene-11-carboxamide
CAS Number1542100-77-5
PubChem CID146018942
IUPAC Name(2S,5S,8S,11S,15E,20S)-20-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-8-(4-aminobutyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2,11,20-trimethyl-5-(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetrazacyclohenicos-15-ene-11-carboxamide
Molecular FormulaC102H182N24O22
Molecular Weight2096.7
XLogP1.9
Topological Polar Surface Area742
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count28
Rotatable Bond Count68
Heavy Atom Count148
Formal Charge0
Complexity4110
SMILES
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@](CCC/C=C/CCC[C@](C(=O)N1)(C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N)CCCCN)CC(C)C
InChI
InChI=1S/C102H182N24O22/c1-62(2)55-76(120-90(135)74(40-26-33-47-106)116-88(133)72(38-24-31-45-104)113-82(128)61-148-54-53-147-52-51-146-50-49-108)91(136)110-67(11)85(130)115-73(39-25-32-46-105)89(134)122-80(59-70-35-21-20-22-36-70)94(139)121-79(58-65(7)8)95(140)124-83(66(9)10)98(143)123-81(60-127)97(142)126-102(15)43-29-19-17-16-18-28-42-101(14,99(144)111-68(12)86(131)118-77(56-63(3)4)92(137)114-71(84(109)129)37-23-30-44-103)125-96(141)75(41-27-34-48-107)117-93(138)78(57-64(5)6)119-87(132)69(13)112-100(102)145/h16-17,20-22,35-36,62-69,71-81,83,127H,18-19,23-34,37-61,103-108H2,1-15H3,(H2,109,129)(H,110,136)(H,111,144)(H,112,145)(H,113,128)(H,114,137)(H,115,130)(H,116,133)(H,117,138)(H,118,131)(H,119,132)(H,120,135)(H,121,139)(H,122,134)(H,123,143)(H,124,140)(H,125,141)(H,126,142)/b17-16+/t67-,68-,69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,83-,101-,102-/m0/s1
InChIKey
FREADERNJMYCAI-LLUHBCIQSA-N
Chemical Structure
2D Structure
2D structure of (2S,5S,8S,11S,15E,20S)-20-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-8-(4-aminobutyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2,11,20-trimethyl-5-(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetrazacyclohenicos-15-ene-11-carboxamide
CAS: 1542100-77-5
CID: 146018942
Formula: C102H182N24O22
MW: 2096.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2096.7
XLogP31.9
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count28
Rotatable Bond Count68
Exact Mass2096.38940837
Monoisotopic Mass2095.38605353
Topological Polar Surface Area742 Ų
Heavy Atom Count148
Formal Charge0
Complexity4110
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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