Products for Research Use Only
RegisterLogin

GGFG-PAB-MMAE

CAT: 0931-T201132-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T201132-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3049886-19-0
Target
Drug-Linker Conjugates for ADC, Microtubule Associated
Related Pathways
Cytoskeletal Signaling, Antibody-drug Conjugate/ADC Related
Bioactivity
GGFG-PAB-MMAE (Comp 58054-1) is a drug-linker conjugate for ADC that comprises an ADC linker (GGFG-PAB) and the potent tubulin polymerization inhibitor, MMAE. This formulation combines the targeted delivery mechanism inherent in ADC technology with the effective inhibitory action of MMAE against tubulin polymerization.
Smiles
[C@H]([C@H](C(N[C@@H]([C@@H](O)C1=CC=CC=C1)C)=O)C)(OC)[C@]2(N(C(C[C@H]([C@@H](N(C([C@@H](NC([C@@H](N(C(OCC3=CC=C(NC(CNC([C@H](CC4=CC=CC=C4)NC(CNC(CN)=O)=O)=O)=O)C=C3)=O)C)[C@@H](C)C)=O)C(C)C)=O)C)[C@H](CC)C)OC)=O)CCC2)[H]
Molecular Formula
C62H92N10O13
Molecular Weight
1185.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ggfg-pab-mmae
CAS Number3049886-19-0
PubChem CID172652644
IUPAC Name[4-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
Molecular FormulaC62H92N10O13
Molecular Weight1185.5
XLogP4.2
Topological Polar Surface Area309
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count33
Heavy Atom Count85
Formal Charge0
Complexity2150
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)CN
InChI
InChI=1S/C62H92N10O13/c1-13-39(6)55(48(83-11)32-52(76)72-30-20-25-47(72)57(84-12)40(7)58(78)66-41(8)56(77)44-23-18-15-19-24-44)70(9)61(81)53(37(2)3)69-60(80)54(38(4)5)71(10)62(82)85-36-43-26-28-45(29-27-43)67-50(74)35-65-59(79)46(31-42-21-16-14-17-22-42)68-51(75)34-64-49(73)33-63/h14-19,21-24,26-29,37-41,46-48,53-57,77H,13,20,25,30-36,63H2,1-12H3,(H,64,73)(H,65,79)(H,66,78)(H,67,74)(H,68,75)(H,69,80)/t39-,40+,41+,46-,47-,48+,53-,54-,55-,56+,57+/m0/s1
InChIKey
GPNCGRXJSFYSDM-MGWCXDSNSA-N
Chemical Structure
2D Structure
2D structure of Ggfg-pab-mmae
CAS: 3049886-19-0
CID: 172652644
Formula: C62H92N10O13
MW: 1185.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1185.5
XLogP34.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count33
Exact Mass1184.68453303
Monoisotopic Mass1184.68453303
Topological Polar Surface Area309 Ų
Heavy Atom Count85
Formal Charge0
Complexity2150
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T88168-01GGFG-PAB-Exatecan
T201119-01MC-GGFG-PAB-Exatecan
T212477-01Fmoc-GGFG-PAB-PNP
T203238-01GGFG-PAB-Exatecan TFA
T82323-01GGFG-Eribulin
T40308-01Gly3-VC-PAB-MMAE
T18679-01SC-VC-PAB-MMAE
T79206-01MC-EVCit-PAB-MMAE
T84694-01PC5-VC-PAB-MMAE
T18867-01Val-Cit-PAB-MMAE

Alternative Products

CatalogName
HY-164788GGFG-PAB-MMAE
HY-170512-01Mal-GGFG-PAB-MMAE
GTR19234048-01GGFG-PAB-Exatecan
HY-P11295Fmoc-GGFG-PAB-PNP
HY-153069AGGFG-PAB-Exatecan (TFA)
GTR19239666-01MC-GGFG-PAB-Exatecan
GTR19241406-01GGFG-PAB-Exatecan TFA
HY-156687-01GGFG-Eribulin
HY-128994-01GGFG-Exatecan
BA2625-50Val-Cit-PAB-MMAE

Popular Products