Conophyllidine

CAT: 0931-T211997-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T211997-02Size:50 mg

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CAS Number

152406-44-5

Target

Arginase, Histone Acetyltransferase

Related Pathways

Immunology/Inflammation, Chromatin/Epigenetic

Bioactivity

Conophyllidine is a bisindole alkaloid and functions as a selective inhibitor of M2 polarization. It inhibits histone acetylation by targeting the histone acetyltransferase domain of the P300/CBP proteins. The IC50 of Conophyllidine for IL-4-induced arginase inhibition is 0.31 μM. This compound effectively induces tumor-associated macrophages (TAMs) to shift from an anti-inflammatory to an inflammatory state, thereby enhancing the recruitment and function of cytotoxic CD8+ T cells in the tumor microenvironment. Conophyllidine is useful for studying tumor-associated macrophages.

Smiles

C(C)[C@@]12[C@]3([C@@]4(C(=C(C(OC)=O)C1)NC=5C4=CC(O)=C(OC)C5OC)CCN3[C@]6([C@@]([C@H]2O)(OC=7C6=CC8=C(C7)NC=9[C@@]8%10[C@@]%11([C@](CC)(CC9C(OC)=O)C=CCN%11CC%10)[H])[H])[H])[H]

Molecular Formula

C44H50N4O9

Molecular Weight

778.89

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Conophyllidine

Conophyllidine has been reported in Tabernaemontana divaricata with data available.

CAS Number	152406-44-5
PubChem CID	44566831
IUPAC Name	dimethyl (2S,6R,13S,22R,23R,24R,35R,38S,39R)-13,24-diethyl-23,32-dihydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetrazaundecacyclo[22.13.1.16,9.02,22.03,20.05,18.06,16.027,35.029,34.035,38.013,39]nonatriaconta-3,5(18),11,15,19,26,29,31,33-nonaene-15,26-dicarboxylate
Molecular Formula	C44H50N4O9
Molecular Weight	778.9
XLogP	4.5
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Heavy Atom Count	57
Formal Charge	0
Complexity	1850

SMILES

CC[C@@]12CC(=C3[C@@]4([C@@H]1N(CC4)CC=C2)C5=C(N3)C=C6C(=C5)[C@H]7[C@@H](O6)[C@@H]([C@@]8(CC(=C9[C@@]1([C@@H]8N7CC1)C1=CC(=C(C(=C1N9)OC)OC)O)C(=O)OC)CC)O)C(=O)OC

InChI

InChI=1S/C44H50N4O9/c1-7-41-10-9-13-47-14-11-43(39(41)47)24-16-21-28(18-26(24)45-34(43)22(19-41)37(51)55-5)57-33-30(21)48-15-12-44-25-17-27(49)31(53-3)32(54-4)29(25)46-35(44)23(38(52)56-6)20-42(8-2,36(33)50)40(44)48/h9-10,16-18,30,33,36,39-40,45-46,49-50H,7-8,11-15,19-20H2,1-6H3/t30-,33+,36-,39+,40+,41+,42-,43-,44-/m0/s1

InChIKey

XVLKCTCGGIJHCK-GXLFRJOSSA-N

Chemical Structure

2D Structure

CAS: 152406-44-5

CID: 44566831

Formula: C44H50N4O9

MW: 778.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	778.9
XLogP3	4.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	778.35777919
Monoisotopic Mass	778.35777919
Topological Polar Surface Area	151 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1850
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
T13624	Conophylline

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Catalog	Name
GTR19264310-01	Conophyllidine

Conophyllidine

Chemical Information

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