SIH-458-100UG

Non-hazardous

(9S,10R,12R)-2,3,9,10,11,12-Hexahydro-10-methoxy-2,9-dimethyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, methyl ester

White solid

126643-37-6

Canada

Not for use in humans. Not for use in diagnostics or therapeutics. For in vitro research use only.

InChI=1S/C29H25N3O5/c1-28-29(36-4,27(34)35-3)13-20(37-28)31-18-11-7-5-9-15(18)22-23-17(14-30(2)26(23)33)21-16-10-6-8-12-19(16)32(28)25(21)24(22)31/h5-12,20H,13-14H2,1-4H3

QTYMDECKVKSGSM-UHFFFAOYSA-N

495.5

C29H25N3O5

3843

Cell Signaling|Cancer|Apoptosis|Cancer Growth Inhibitors|Tyrosine Kinase Inhibitors

Classification:
Not a hazardous substance or mixture.

Safety Phrases:
S22 - Do not breathe dust.
S24/25 - Avoid contact with skin and eyes.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.

KT5823 is a potent, selective, and reversible inhibitor of Protein Kinase G (PKG). It is a derivative of K-252a. KT5823 has been shown to inhibit SNP-stimulated PKG activity in dispersed smooth muscle cells. It has also been observed to dose-dependently inhibit spontaneous apoptosis of neutrophils.

C29H25N3O5
APtclcactv07301412572D 0 0.00000 0.00000

62 69 0 0 1 0 0 0 0 0999 V2000
6.3339 -0.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3339 1.2882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7090 1.8881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9679 0.9222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1359 0.1634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2738 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2455 -2.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1316 -3.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0342 -2.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8768 1.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8644 2.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9579 3.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0759 2.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3888 -2.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1540 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4998 -0.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2267 -0.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1597 -0.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1178 -1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5772 -2.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2224 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2404 -0.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4134 0.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4154 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4032 -0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8823 -1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8771 1.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5228 -1.7076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1123 1.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9825 1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8754 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8407 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0387 -1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1879 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4457 2.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3339 -0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8339 0.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4891 2.7091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7468 -1.5861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7014 -3.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1218 -4.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5686 -3.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8880 -2.6661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0763 -2.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6988 -1.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9257 -2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0788 -2.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4163 1.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3964 3.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9433 4.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5296 3.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2858 0.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6650 1.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4062 -0.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7204 -1.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9018 -1.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7520 -0.6287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0666 -0.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2476 0.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8256 0.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3872 -0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6278 -0.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 36 1 0 0 0 0
1 34 1 0 0 0 0
1 4 1 0 0 0 0
36 37 1 0 0 0 0
32 36 2 0 0 0 0
2 37 1 0 0 0 0
31 37 2 0 0 0 0
2 29 1 0 0 0 0
2 3 1 0 0 0 0
29 30 1 0 0 0 0
13 29 2 0 0 0 0
30 31 1 0 0 0 0
10 30 2 0 0 0 0
25 31 1 0 0 0 0
25 26 2 0 0 0 0
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20 26 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
9 33 1 0 0 0 0
6 34 1 0 0 0 0
6 7 2 0 0 0 0
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20 28 1 0 0 0 0
24 28 1 0 0 0 0
14 28 1 0 0 0 0
18 24 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
3 38 1 6 0 0 0
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4 5 1 0 0 0 0
4 17 1 1 0 0 0
5 27 1 0 0 0 0
5 22 1 6 0 0 0
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15 22 1 0 0 0 0
19 21 2 0 0 0 0
21 23 1 0 0 0 0
16 23 1 0 0 0 0
6 39 1 0 0 0 0
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20 43 1 0 0 0 0
20 44 1 0 0 0 0
14 45 1 0 0 0 0
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10 48 1 0 0 0 0
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12 50 1 0 0 0 0
13 51 1 0 0 0 0
27 52 1 0 0 0 0
27 53 1 0 0 0 0
15 54 1 0 0 0 0
15 55 1 0 0 0 0
15 56 1 0 0 0 0
16 57 1 0 0 0 0
16 58 1 0 0 0 0
16 59 1 0 0 0 0
17 60 1 0 0 0 0
17 61 1 0 0 0 0
17 62 1 0 0 0 0
M END
$$$$

[N]47C1=C(C6=C(C2=C1[N](C3=CC=CC=C23)[[email protected]@H]5O[[email protected]]4([[email protected]@](C5)(OC)C(=O)OC)C)C(N(C6)C)=O)C8=C7C=CC=C8

Soluble in DMSO (20 mg/ml), dimethyl formamide (20 mg/ml) and ethyl acetate (5 mg/ml)

Synthetic

3822.00.1090

PKG kinase inhibitor

Inhibitor

0.25

0.0001

≥98% (TLC)

Shipped Ambient

Y

-20ºC

1. Murthy K.S., & Makhlouf G.M. (1995) Am J. Phys. 268(1 Pt 1): C171–180.
2. Brunetti M., et al. (2002) Biochem. Biophys. Res. Comm. 297(3): 498–501.
3. Kase H., et al. (1987) Biochem. Biophys. Res. Comm. 142(2): 436–440.