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Trichomide A

CAT: 0931-T76241-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T76241-02Size:50 mg
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CAS Number
1569195-36-3
Target
Phosphatase
Related Pathways
Metabolism
Bioactivity
Trichomide A, a natural cyclodepsipeptide, serves as a potent activator of SHP2. This compound exhibits immunosuppressive activity against activated T lymphocyte-mediated immune responses in Con A-activated T cells, highlighting its potential utility in researching immune-related skin diseases [1].
Smiles
O=C1[C@]2(N(C(=O)[C@@H](C[C@H](CO)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@]([C@H](CC)C)(N(C)C(=O)[C@]([C@H](CC)C)(N1)[H])[H])CC[C@@H]2C)[H]
Molecular Formula
C32H55N5O8
Molecular Weight
637.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Trichomide A
CAS Number1569195-36-3
PubChem CID102435898
IUPAC Name(3R,10S,13S,16S,19S,20S)-13,16-bis[(2S)-butan-2-yl]-3-[(2R)-3-hydroxy-2-methylpropyl]-10,11,14,20-tetramethyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Molecular FormulaC32H55N5O8
Molecular Weight637.8
XLogP2.4
Topological Polar Surface Area166
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity1090
SMILES
CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CC[C@@H]([C@H]2C(=O)N1)C)C[C@@H](C)CO)C)C)[C@@H](C)CC)C
InChI
InChI=1S/C32H55N5O8/c1-10-19(4)25-31(43)36(9)27(20(5)11-2)32(44)35(8)22(7)28(40)33-14-12-24(39)45-23(16-18(3)17-38)30(42)37-15-13-21(6)26(37)29(41)34-25/h18-23,25-27,38H,10-17H2,1-9H3,(H,33,40)(H,34,41)/t18-,19+,20+,21+,22+,23-,25+,26+,27+/m1/s1
InChIKey
JAZWVVYJAUEMMG-MSHPQOCISA-N
Chemical Structure
2D Structure
2D structure of Trichomide A
CAS: 1569195-36-3
CID: 102435898
Formula: C32H55N5O8
MW: 637.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight637.8
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass637.40506373
Monoisotopic Mass637.40506373
Topological Polar Surface Area166 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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